1-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HCl
Basic information
- CAS
63377-08-2- Standard SMILES
CC1COCOC12CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2.[Cl-]- InChIKey
ZRKNHLCOLFLDBM-UHFFFAOYSA-N- Molecular formula
- C19H27ClFNO3
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1663496
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HCl
- IUPAC
- 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)butan-1-one chloride
Names & synonyms
1,3-Dioxa-9-azaspiro(5.5)undecane, 5-methyl-9-(3-(p-fluorobenzoyl)propyl)-, hydrochlorideButyrophenone, 4'-fluoro-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, hydrochloride63377-08-21-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HClRefChem:2288701-Butanone, 1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-, HCl (9CI)
Database identifiers
- CAS
63377-08-2- PubChem CID
- 44471
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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