Basic information
- CAS
73832-10-7- Standard SMILES
Nc1ccc2nc(CF)n(-c3ccccc3C(F)(F)F)c(=O)c2c1- InChIKey
PZYWPLWYRPOKGM-UHFFFAOYSA-N- Molecular formula
- C16H11F4N3O
- Average molar mass
- 337.27 g/mol
- Monoisotopic mass
- 337.08382463
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-amino-2-fluoromethyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)-
- IUPAC
- 6-amino-2-(fluoromethyl)-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 6-amino-2-fluoromethyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)-73832-10-7BRN 08473106-Amino-2-fluoromethyl-3-(o-trifluoromethylphenyl)-4(3H)-quinazolinone6-Amino-2-fluoromethyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)-4(3H)-quinazolinoneDTXSID302243386-Amino-2-(fluoromethyl)-3-[2-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Database identifiers
- CAS
73832-10-7- PubChem CID
- 63522
- DTXSID
DTXSID30224338- Nikkaji
- J73.033E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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