Basic information
- CAS
54996-00-8- Standard SMILES
CC1C[NH+](CCCC(=O)c2ccc(F)cc2)Cc2c1oc1ccccc21.[Cl-]- InChIKey
OHZLHKNCSNWMDL-UHFFFAOYSA-N- Molecular formula
- C22H23ClFNO2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1401348
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride
Names & synonyms
4'-Fluoro-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)butyrophenone HClButyrophenone, 4'-fluoro-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride54996-00-8RefChem:331419
Database identifiers
- CAS
54996-00-8- PubChem CID
- 41277
Properties
Computed structural properties
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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