(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, ethyl ester, (+-)-
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Basic information
- CAS
161692-89-3- Standard SMILES
CCOC(=O)C(C)CC(=O)c1ccc(-c2ccc(F)cc2F)cc1- InChIKey
YZVMMWAGDJXLKK-UHFFFAOYSA-N- Molecular formula
- C19H18F2O3
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.12240076
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, ethyl ester, (+-)-
- IUPAC
- ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
- English name
- ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoate
- Molecular formula
- C19H18F2O3
- Molecular weight
- 0
Names & synonyms
161692-89-3Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, ethyl ester, (+-)-RefChem:203993ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoateDTXSID40936576Ethyl 4-(2',4'-difluoro[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoate139747-48-1ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoate
Database identifiers
- CAS
161692-89-3- PubChem CID
- 3074785
- DTXSID
DTXSID40936576
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
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Compound notes
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