ContaminantDB: CFC-11

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:32:33 UTC

Update Date

2016-10-28 10:01:04 UTC

Accession Number

CHEM004019

Identification

Common Name

CFC-11

Class

Small Molecule

Description

A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom.

Contaminant Sources

Clean Air Act Chemicals
DEA Chemicals
HPV EPA Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
CFC-11	ChEBI
Eskimon 11	ChEBI
Fluorochloroform	ChEBI
Fluorotrichloromethane	ChEBI
Freon 11	ChEBI
Monofluorotrichloromethane	ChEBI
R-11	ChEBI
Refrigerant 11	ChEBI
Trichlorofluorocarbon	ChEBI
Trichloromonofluoromethane	ChEBI
FC-11	MeSH
Genetron 11	MeSH
Trichlorofluoromethane	MeSH
Trichlorofluoromethane hydrate	MeSH
Trichlorofluoromethane, (18)F-labeled	MeSH

Chemical Formula

CCl₃F

Average Molecular Mass

137.360 g/mol

Monoisotopic Mass

135.905 g/mol

CAS Registry Number

75-69-4

IUPAC Name

trichloro(fluoro)methane

Traditional Name

trichlorofluoromethane

SMILES

FC(Cl)(Cl)Cl

InChI Identifier

InChI=1S/CCl3F/c2-1(3,4)5

InChI Key

CYRMSUTZVYGINF-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as chlorofluorocarbons. These are alkyhalide compounds that are composed only of chlorine, fluorine, and carbon atoms.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Alkyl halides

Sub Class

Alkyl chlorides

Direct Parent

Chlorofluorocarbons

Alternative Parents

Substituents

Chlorofluorocarbon
Halomethane
Hydrocarbon derivative
Organofluoride
Organochloride
Alkyl fluoride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

one-carbon compound (CHEBI:48236 )
fluoroalkane (CHEBI:48236 )
chloroalkane (CHEBI:48236 )
a halide (CPD-8224 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	2.55 g/L	ALOGPS
logP	2.25	ALOGPS
logP	2.71	ChemAxon
logS	-1.7	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	2.3 m³·mol⁻¹	ChemAxon
Polarizability	8.55 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fri-0900000000-ef3d7b55570da87ccc84	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0900000000-5d9eb33be39ccea55f67	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-5d9eb33be39ccea55f67	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-0900000000-5d9eb33be39ccea55f67	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0900000000-5b54acb1fd434b312c2a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-0900000000-5b54acb1fd434b312c2a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-0900000000-5b54acb1fd434b312c2a	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0259173

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Trichlorofluoromethane

Chemspider ID

6149

ChEBI ID

48236

PubChem Compound ID

Not Available

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=1114326

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24189105

3. https://www.ncbi.nlm.nih.gov/pubmed/?term=5727092

4. https://www.ncbi.nlm.nih.gov/pubmed/?term=8006631

CFC-11 (CHEM004019)

Structure for CHEM004019: CFC-11