Mrv1572004191601122D          

  8  7  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004134

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)OP(C)(F)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3

> <INCHI_KEY>
DYAHQFWOVKZOOW-UHFFFAOYSA-N

> <FORMULA>
C4H10FO2P

> <MOLECULAR_WEIGHT>
140.094

> <EXACT_MASS>
140.040244723

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
12.13834799065111

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl(propan-2-yloxy)phosphinoyl fluoride

> <ALOGPS_LOGP>
0.54

> <JCHEM_LOGP>
0.7672783086666662

> <ALOGPS_LOGS>
-1.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.501154004723805

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
29.764400000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.57e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isopropoxy(methyl)phosphinoyl fluoride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Sarin

> <CAS>
107-44-8

$$$$