Basic information
- Standard SMILES
O=c1nc(Cc2ccccc2Cl)oc2c(C(F)(F)F)cccc12- InChIKey
OFTDJFDVILHHHH-UHFFFAOYSA-N- Molecular formula
- C16H9ClF3NO2
- Average molar mass
- 339.69 g/mol
Names & identifiers
- Preferred name
- 2-chlorobenzyl-8-trifluoromethyl-4H-1,3-benzoxazin-4-one
- IUPAC
- 2-[(2-chlorophenyl)methyl]-8-(trifluoromethyl)-1,3-benzoxazin-4-one
Names & synonyms
2-chlorobenzyl-8-trifluoromethyl-4H-1,3-benzoxazin-4-oneSCHEMBL10665868
Database identifiers
- PubChem CID
- 20145688
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
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