Basic information
- CAS
31556-12-4- Standard SMILES
Cl.O=C(CCCN1CC2CC3CC(C2)CC1C3)c1ccc(F)cc1- InChIKey
FJQRCTWHDLSLHP-UHFFFAOYSA-N- Molecular formula
- C20H27ClFNO
- Average molar mass
- 351.9 g/mol
- Monoisotopic mass
- 351.1765203
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride
- IUPAC
- 4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Names & synonyms
31556-12-44-(4-Azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluorobutyrophenone hydrochlorideButyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride4-(3-(4-Fluorobenzoyl)propyl)-4-azahomoadamantane hydrochloride1-Butanone, 4-(4-azatricyclo(4.3.1.13,8)undec-4-yl)-1-(4-fluorophenyl)-, hydrochlorideRefChem:331463DTXSID909535314-(4-Azatricyclo[4.3.1.1~3,8~]undecan-4-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
31556-12-4- PubChem CID
- 64282
- DTXSID
DTXSID90953531
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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