Basic information
- Standard SMILES
CCCN1CCC(C)(C)c2cc(C(C)C)cc(/C(C)=C(/F)C=O)c21- InChIKey
JQAZPXMDKOLWQB-XDJHFCHBSA-N- Molecular formula
- C21H30FNO
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.23114274
Names & identifiers
- Preferred name
- (E)-2-Fluoro-3-(6-isopropyl-4,4-dimethyl-1-n-propyl-1,2,3,4-tetrahydro-quinolin-8-yl)-but-2-enal
- IUPAC
- (E)-3-(4,4-dimethyl-6-propan-2-yl-1-propyl-2,3-dihydroquinolin-8-yl)-2-fluorobut-2-enal
Names & synonyms
SCHEMBL6792572JQAZPXMDKOLWQB-XDJHFCHBSA-N(E)-2-Fluoro-3-(6-isopropyl-4,4-dimethyl-1-n-propyl-1,2,3,4-tetrahydro-quinolin-8-yl)-but-2-enal
Database identifiers
- PubChem CID
- 22719829
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
2 records
Compound notes
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