Basic information
- CAS
35806-09-8- Standard SMILES
Cl.O=C(CCCN1C2CCC1c1ccccc12)c1ccc(F)cc1- InChIKey
JKJYUMKEVPZTCO-UHFFFAOYSA-N- Molecular formula
- C20H21ClFNO
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.1295701
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-(1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl)butan-1-one--hydrogen chloride (1/1)
- IUPAC
- 4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Names & synonyms
DTXSID3095719435806-09-81-(4-Fluorophenyl)-4-(1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl)butan-1-one--hydrogen chloride (1/1)RefChem:1054383DTXCID0013851381-(4-Fluorophenyl)-4-naphthalen-1,4-imin-9-yl-1-butanone hydrochloride1-Butanone, 1-(4-fluorophenyl)-4-naphthalen-1,4-imin-9-yl-, hydrochloride
Database identifiers
- CAS
35806-09-8- PubChem CID
- 215513
- DTXSID
DTXSID30957194
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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