Basic information
- CAS
1997-30-4- Standard SMILES
O=C(CCCN1CCC2(CCCCC2)CC1)c1ccc(F)cc1- InChIKey
HTYMBWFCAKHGOC-UHFFFAOYSA-N- Molecular formula
- C20H28FNO
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.21549268
Names & identifiers
- Preferred name
- 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-
- IUPAC
- 4-(3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Names & synonyms
1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(4-fluorophenyl)-1997-30-4R-4006DTXSID001737634-(3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Database identifiers
- CAS
1997-30-4- PubChem CID
- 6158
- DTXSID
DTXSID00173763
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…