Basic information
- Standard SMILES
Fc1c(N=C=S)cccc1C(F)(F)F- InChIKey
CKARLDGUJQLIRK-UHFFFAOYSA-N- Molecular formula
- C8H3F4NS
- Average molar mass
- 221.18 g/mol
- Monoisotopic mass
- 220.99223292
Names & identifiers
- Preferred name
- 2-Fluoro-1-isothiocyanato-3-trifluoromethyl-benzene
- IUPAC
- 2-fluoro-1-isothiocyanato-3-(trifluoromethyl)benzene
Names & synonyms
870063-31-32-fluoro-1-isothiocyanato-3-trifluoromethyl-benzene2-Fluoro-3-(trifluoromethyl)phenyl IsothiocyanateSCHEMBL3290334SCHEMBL29717622MFCD26686202SY3261052-fluoro-1-isothiocyanato-3-(trifluoromethyl)benzene
Database identifiers
- PubChem CID
- 83402407
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Related reactions
5 records
Compound notes
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