Basic information
- Standard SMILES
C#CCN1C(=O)C(F)(F)Oc2cc(F)c(NC(=O)OCC)cc21- InChIKey
QATJPMAWCXOZCN-UHFFFAOYSA-N- Molecular formula
- C14H11F3N2O4
- Average molar mass
- 328.24 g/mol
Names & identifiers
- Preferred name
- Ethyl (2,2,7-trifluoro-3-oxo-4-prop-2-ynyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-carbamate
- IUPAC
- ethyl N-(2,2,7-trifluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamate
Names & synonyms
Ethyl (2,2,7-trifluoro-3-oxo-4-prop-2-ynyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-carbamateSCHEMBL1802016
Database identifiers
- PubChem CID
- 87293554
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 533
Related reactions
2 records
Compound notes
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