ContaminantDB: Ethene, tetrafluoro-

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

Record Information

Version

1.0

Creation Date

2016-05-19 01:36:20 UTC

Update Date

2016-11-09 01:09:17 UTC

Accession Number

CHEM004164

Identification

Common Name

Ethene, tetrafluoro-

Class

Small Molecule

Description

Contaminant Sources

Clean Air Act Chemicals
HPV EPA Chemicals
IARC Carcinogens Group 2A
OSHA Hazardous Chemicals
STOFF IDENT Compounds

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,1,2,2-Tetrafluoroethylene	ChEBI
C2F4	ChEBI
F2C=cf2	ChEBI
Perfluoraethylen	ChEBI
Perfluoroethene	ChEBI
Perfluoroethylene	ChEBI
Tetrafluoraethen	ChEBI
Tetrafluoraethylen	ChEBI
Tetrafluoroethylene	ChEBI
TFE	ChEBI
Tetrafluoroethylene, ion(1+)	MeSH
Tetrafluoroethene	MeSH
Tetrafluoroethylene, ion(1-)	MeSH

Chemical Formula

C₂F₄

Average Molecular Mass

100.016 g/mol

Monoisotopic Mass

99.994 g/mol

CAS Registry Number

116-14-3

IUPAC Name

tetrafluoroethene

Traditional Name

tetrafluoroethylene

SMILES

FC(F)=C(F)F

InChI Identifier

InChI=1S/C2F4/c3-1(4)2(5)6

InChI Key

BFKJFAAPBSQJPD-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as vinyl fluorides. These are vinyl halides in which a fluorine atom is bonded to an sp2-hybridised carbon atom.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Vinyl halides

Sub Class

Vinyl fluorides

Direct Parent

Vinyl fluorides

Alternative Parents

Substituents

Fluoroalkene
Haloalkene
Vinyl fluoride
Hydrocarbon derivative
Organofluoride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

fluorocarbon (CHEBI:38866 )

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	0.059 g/L	ALOGPS
logP	1.35	ALOGPS
logP	1.47	ChemAxon
logS	-3.2	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	32.24 m³·mol⁻¹	ChemAxon
Polarizability	3.92 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	splash10-0002-9000000000-37c0fc6d71613b87da3e	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	splash10-0udi-0900000000-882d9065b1ade4de040d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-882d9065b1ade4de040d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0900000000-882d9065b1ade4de040d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-c14465e634bb8fbaed9a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-c14465e634bb8fbaed9a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-9000000000-c14465e634bb8fbaed9a	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

HMDB0258891

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

Tetrafluoroethylene

Chemspider ID

8000

ChEBI ID

38866

PubChem Compound ID

Not Available

Kegg Compound ID

C19299

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Ethene, tetrafluoro- (CHEM004164)

Structure for CHEM004164: Ethene, tetrafluoro-