Basic information
- CAS
114212-89-4- Standard SMILES
FC(F)(F)C1C=Nc2ccccc2O1- InChIKey
QNFBPAHORURIMV-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO
- Average molar mass
- 201.14 g/mol
- Monoisotopic mass
- 201.0401483
Names & identifiers
- Preferred name
- 2-(trifluoromethyl)-2H-1,4-benzoxazine
- IUPAC
- 2-(trifluoromethyl)-2H-1,4-benzoxazine
Names & synonyms
DTXSID801283413114212-89-42-(trifluoromethyl)-2H-1,4-benzoxazine
Database identifiers
- CAS
114212-89-4- PubChem CID
- 85550253
- DTXSID
DTXSID801283413
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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