11-(Trifluoromethyl)-12-oxa-17-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6-tetraene
Basic information
- CAS
82281-43-4- Standard SMILES
FC(F)(F)C1OC2CCCN2C2=C1CCc1ccccc12- InChIKey
NUYNETCFAJEHLQ-UHFFFAOYSA-N- Molecular formula
- C16H16F3NO
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.11839862
Names & identifiers
- Preferred name
- 11-(Trifluoromethyl)-12-oxa-17-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6-tetraene
- IUPAC
- 11-(trifluoromethyl)-12-oxa-17-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6-tetraene
Names & synonyms
NSC34805882281-43-4DTXSID30319596NSC-3480585-(Trifluoromethyl)-1,2,3,3a,6,7-hexahydro-5H-naphtho[1,2-d]pyrrolo[2,1-b][1,3]oxazine
Database identifiers
- CAS
82281-43-4- PubChem CID
- 335897
- DTXSID
DTXSID30319596
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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