Basic information
- CAS
7243-10-9- Standard SMILES
O=C1COc2ccc(NCC(O)C(F)(F)F)cc2N1- InChIKey
UFSYHMYKCIQTDA-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2O3
- Average molar mass
- 276.21 g/mol
- Monoisotopic mass
- 276.0721767
Names & identifiers
- Preferred name
- 6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-4H-1,4-benzoxazin-3-one
Names & synonyms
861208-01-76-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-2H-1,4-benzoxazin-3(4H)-oneMFCD064961286-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-3,4-dihydro-2H-1,4-benzoxazin-3-one7243-10-91Y-00056-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-4H-1,4-benzoxazin-3-oneDTXSID00413974AKOS015992322SR-01000307547SR-01000307547-16-[(3,3,3-trifluoro-2-hydroxy-propyl)amino]-4H-1,4-benzoxazin-3-one
Database identifiers
- CAS
7243-10-9- PubChem CID
- 5260596
- DTXSID
DTXSID00413974
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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