Basic information
- CAS
54995-99-2- Standard SMILES
O=C(CCC[NH+]1CCc2oc3ccccc3c2C1)c1ccc(F)cc1.[Cl-]- InChIKey
ONQUIWRCJHTFQY-UHFFFAOYSA-N- Molecular formula
- C21H21ClFNO2
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1244848
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride
Names & synonyms
Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride54995-99-2RefChem:10805162-(1-(p-Fluorobenzoyl)-3-propyl)-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridine hydrochloride
Database identifiers
- CAS
54995-99-2- PubChem CID
- 41275
Properties
Computed structural properties
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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