2-Amino-3-fluoro-5-(trifluoromethyl)benzonitrile
Basic information
- CAS
1217304-65-8- Standard SMILES
N#Cc1cc(C(F)(F)F)cc(F)c1N- InChIKey
QNEKHDKVQBCRRW-UHFFFAOYSA-N- Molecular formula
- C8H4F4N2
- Average molar mass
- 204.12 g/mol
- Monoisotopic mass
- 204.03106078
Names & identifiers
- Preferred name
- 2-Amino-3-fluoro-5-(trifluoromethyl)benzonitrile
- IUPAC
- 2-amino-3-fluoro-5-(trifluoromethyl)benzonitrile
Names & synonyms
2-amino-3-fluoro-5-(trifluoromethyl)benzonitrile1217304-65-8SCHEMBL463526QNEKHDKVQBCRRW-UHFFFAOYSA-NDTXSID201238727MFCD287702662-Amino-3-fluoro-5-trifluoromethyl-benzonitrile
Database identifiers
- CAS
1217304-65-8- PubChem CID
- 59320552
- DTXSID
DTXSID201238727
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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