Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-
Basic information
- CAS
1235-67-2- Standard SMILES
O=C(CCCN1CCC2(CCCCCC2)C1)c1ccc(F)cc1- InChIKey
LNFNMWXLVHXWAL-UHFFFAOYSA-N- Molecular formula
- C20H28FNO
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.21549268
Names & identifiers
- Preferred name
- Butyrophenone, 4-(2-azaspiro(4.6)undec-2-yl)-4'-fluoro-
- IUPAC
- 4-(2-azaspiro[4.6]undecan-2-yl)-1-(4-fluorophenyl)butan-1-one
Names & synonyms
BRN 1431874BUTYROPHENONE, 4-(2-AZASPIRO(4.6)UNDEC-2-YL)-4'-FLUORO-4-(2-Azaspiro(4.6)undec-2-yl)-4'-fluoro-butyrophenone1235-67-2DTXSID80154030RefChem:331446DTXCID70765214-(2-azaspiro[4.6]undecan-2-yl)-1-(4-fluorophenyl)butan-1-one
Database identifiers
- CAS
1235-67-2- PubChem CID
- 14696
- DTXSID
DTXSID80154030- Nikkaji
- J67.435D
Properties
Computed structural properties
- XLogP
- 4.9
- 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
- 381
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…