Basic information
- CAS
51787-76-9- Standard SMILES
OC(CCC[NH+]1CCC2(CC1)OCCO2)(c1ccc(F)cc1)c1ccc(F)cc1.[Cl-]- InChIKey
CKSPFAGBXFEQSV-UHFFFAOYSA-N- Molecular formula
- C23H28ClF2NO3
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.1725778
Names & identifiers
- Preferred name
- 1,4-Dioxa-8-azaspiro(4.5)decane-8-butanol, alpha,alpha-bis(4-fluorophenyl)-, hydrochloride (1:1)
- IUPAC
- 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1,1-bis(4-fluorophenyl)butan-1-ol chloride
Names & synonyms
51787-76-9RefChem:10533071,4-Dioxa-8-azaspiro(4.5)decane-8-butanol, alpha,alpha-bis(4-fluorophenyl)-, hydrochloride (1:1)1,4-Dioxa-8-azaspiro(4.5)decane-8-butanol, alpha,alpha-bis(4-fluorophenyl)-, hydrochloride8-(4,4-Bis(4-fluorophenyl)-4-hydroxybutyl)-1,4-dioxa-8-azaspiro(4.5)decane hydrochloridealpha,alpha-Bis(4-fluorophenyl)-1,4-dioxa-8-azaspiro(4.5)decane-8-butanol hydrochloride
Database identifiers
- CAS
51787-76-9- PubChem CID
- 40130
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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