Basic information
- CAS
64-58-4- Standard SMILES
CC(C)(C)C1CCC2(CC1)CCN(CCCC(=O)c1ccc(F)cc1)CC2- InChIKey
NXDSAPCXWPTFDB-UHFFFAOYSA-N- Molecular formula
- C24H36FNO
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.27809293
Names & identifiers
- Preferred name
- Butyrophenone, 4-(9-tert-butyl-3-azaspiro(5.5)undec-3-yl)-4'-fluoro-
- IUPAC
- 4-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Names & synonyms
BRN 1350881BUTYROPHENONE, 4-(9-tert-BUTYL-3-AZASPIRO(5.5)UNDEC-3-YL)-4'-FLUORO-64-58-4DTXSID602139774-(9-tert-Butyl-3-azaspiro(5.5)undec-3-yl)-4'-fluoro-butyrophenoneRefChem:331474DTXCID901364684-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Database identifiers
- CAS
64-58-4- PubChem CID
- 6154
- DTXSID
DTXSID60213977- Nikkaji
- J67.437K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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