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Basic information
- Standard SMILES
O=C(CCCCN1CCC2(CC1)OCc1ccccc12)c1cc(C(F)(F)F)ccc1Cl- InChIKey
FYYLBRAFBWZSFV-UHFFFAOYSA-N- Molecular formula
- C24H25ClF3NO2
- Average molar mass
- 451.9 g/mol
- Monoisotopic mass
- 451.1525912
Names & identifiers
- Preferred name
- 1'-[4-(2-chloro-5-trifluoromethylbenzoyl)-1-butyl]-spiro[isobenzofuran-1(3H),4'-piperidine]
- IUPAC
- 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpentan-1-one
Names & synonyms
1'-[4-(2-chloro-5-trifluoromethylbenzoyl)-1-butyl]-spiro[isobenzofuran-1(3H),4'-piperidine]SCHEMBL74405691'-[4-(2-chloro-5-trifluoromethylbenzoyl)-1-butyl]-spiro[isobenzofuran-l (3H),4'-piperidine]
Database identifiers
- PubChem CID
- 22012217
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
5 records
Compound notes
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