Basic information
- CAS
53511-21-0- Standard SMILES
FC(F)(F)C1=Nc2ccccc2N=C(c2ccccc2)C1- InChIKey
GINNNEPKZPSKNN-UHFFFAOYSA-N- Molecular formula
- C16H11F3N2
- Average molar mass
- 288.27 g/mol
- Monoisotopic mass
- 288.08743285
Names & identifiers
- Preferred name
- 2-phenyl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
- IUPAC
- 2-phenyl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
Names & synonyms
2-phenyl-4-(trifluoromethyl)-3H-1,5-benzodiazepine53511-21-0DTXSID30351097RefChem:265271DTXCID70302164STK701111AKOS005521919ST009383SR-01000554121SR-01000554121-14-phenyl-2-(trifluoromethyl)-3H-benzo[b]1,4-diazepine2-Phenyl-4-(trifluoromethyl)-3H-benzo[b][1,4]diazepine
Database identifiers
- CAS
53511-21-0- PubChem CID
- 690692
- DTXSID
DTXSID30351097- Nikkaji
- J1.813.023H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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