Mrv0541 02241205112D          

  5  4  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 N   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
    0.8250   -1.4289    0.0000 O   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
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D2578

> <DATABASE_NAME>
t3db

> <SMILES>
NC(=O)CF

> <INCHI_IDENTIFIER>
InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)

> <INCHI_KEY>
FVTWJXMFYOXOKK-UHFFFAOYSA-N

> <FORMULA>
C2H4FNO

> <MOLECULAR_WEIGHT>
77.0577

> <EXACT_MASS>
77.02769196

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
5.839475088746548

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-fluoroacetamide

> <ALOGPS_LOGP>
-0.64

> <JCHEM_LOGP>
-0.9564446

> <ALOGPS_LOGS>
0.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.945622528448368

> <JCHEM_PKA_STRONGEST_BASIC>
-8.95728535737027

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
14.475999999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.36e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fluoroacetamide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D2578

> <NAME>
Fluoroacetamide

> <CAS>
640-19-7

> <SYNONYMS>
2-Fluoroacetamide; Amid kyseliny fluoroctove; Baran; Caswell No. 461; Compound 1081; FAA; Fluoracetamide; Fluorakil 100; Fluorkill; Fluoroacetic acid amide; Fluoroakil 100; Flutritex 1; Fussol; Megatox; Monofluoroacetamide; Navron; RCRA waste no. P057; Rcra waste number P057; Rodex; Sjyhcahiktp; WLN: ZV1F; Yanock

> <TYPES>
Organic Compound; Pesticide; Amine; Organofluoride; Amide; Synthetic Compound

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