Basic information
- CAS
1158019-79-4- Standard SMILES
CC1Oc2ccccc2N(C(CN)C(F)(F)F)C1=O- InChIKey
PWEOXCZLICOQIN-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2O2
- Average molar mass
- 274.24 g/mol
- Monoisotopic mass
- 274.09291215
Names & identifiers
- Preferred name
- 4-[1-(Aminomethyl)-2,2,2-trifluoroethyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 4-(3-amino-1,1,1-trifluoropropan-2-yl)-2-methyl-1,4-benzoxazin-3-one
Names & synonyms
DTXSID2011395834-[1-(Aminomethyl)-2,2,2-trifluoroethyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one1158019-79-44-(3-Amino-1,1,1-trifluoropropan-2-yl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- CAS
1158019-79-4- PubChem CID
- 43752829
- DTXSID
DTXSID201139583
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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