Basic information
- CAS
106114-44-7- Standard SMILES
O=C(CCCN1CCC2(CC1)C(=O)N(CCCF)CN2c1ccccc1)c1ccc(F)cc1- InChIKey
ZTBJFYRPVFYXKB-UHFFFAOYSA-N- Molecular formula
- C26H31F2N3O2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.23843356
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(3-fluoropropyl)spiroperidol
- IUPAC
- 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(3-fluoropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- N-(3-fluoropropyl)spiroperidol
- Molecular formula
- C26H31F2N3O2
- Molecular weight
- 455.5400464
Names & synonyms
N-(3-Fluoropropyl)spiroperidol106114-44-7DTXSID40147524RefChem:161959DTXCID60700158-[4-(4-fluorophenyl)-4-oxobutyl]-3-(3-fluoropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one1,3,8-Triazaspiro(4,5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(3-fluoropropyl)-1-phenyl-
Database identifiers
- CAS
106114-44-7- PubChem CID
- 129199
- DTXSID
DTXSID40147524- Nikkaji
- J1.092.249F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 654
Experimental & physicochemical properties
LogP4.63
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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