Basic information
- CAS
92085-26-2- Standard SMILES
O=C1CN=C(c2ccccc2F)c2ccccc2N1CC(F)(F)F- InChIKey
YNTYEIPFNGJAFZ-UHFFFAOYSA-N- Molecular formula
- C17H12F4N2O
- Average molar mass
- 336.28 g/mol
- Monoisotopic mass
- 336.08857566
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-
- IUPAC
- 5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
Names & synonyms
2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-92085-26-2DTXSID702388535-(2-Fluorophenyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
92085-26-2- PubChem CID
- 176552
- DTXSID
DTXSID70238853
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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