Basic information
- CAS
101221-64-1- Standard SMILES
O=C(CCC[NH+]1CCC2(CCC3CCCCC3C2)CC1)c1ccc(F)cc1.[Cl-]- InChIKey
FUQRIADYBPINEO-UHFFFAOYSA-N- Molecular formula
- C24H35ClFNO
- Average molar mass
- 408 g/mol
- Monoisotopic mass
- 407.2391206
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(octahydrospiro(naphthalene-2(1H),4'-piperidin)-1'-yl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-spiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidin-1-ium]-1'-ylbutan-1-one chloride
Names & synonyms
101221-64-14'-Fluoro-4-(octahydrospiro(naphthalene-2(1H),4'-piperidin)-1'-yl)-butyrophenone HClButyrophenone, 4'-fluoro-4-(octahydrospiro(naphthalene-2(1H),4'-piperidin)-1'-yl)-, hydrochlorideRefChem:331435
Database identifiers
- CAS
101221-64-1- PubChem CID
- 58217
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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