4-(4-Fluorophenyl)-2-methyl-4-oxobutanoic acid
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Basic information
- CAS
68415-18-9- Standard SMILES
CC(CC(=O)c1ccc(F)cc1)C(=O)O- InChIKey
LDFOTDZVZJTBRL-UHFFFAOYSA-N- Molecular formula
- C11H11FO3
- Average molar mass
- 210.2 g/mol
- Monoisotopic mass
- 210.06922237
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)-2-methyl-4-oxobutanoic acid
- IUPAC
- 4-(4-fluorophenyl)-2-methyl-4-oxobutanoic acid
- English name
- 2-METHYL-4-OXO-4-(4'-FLUOROPHENYL)BUTYRIC ACID
- Molecular formula
- C11H11FO3
- Molecular weight
- 210.2
Names & synonyms
68415-18-94-(4-fluorophenyl)-2-methyl-4-oxobutanoic acid2-Methyl-4-oxo-4-(4'-fluorophenyl)butyric acidNSC403028SCHEMBL4686815DTXSID70323091MFCD04972257AKOS010910410FM89751NSC-403028DB-021351CS-0246481
Show more names
Benzenebutanoic acid, 4-fluoro-α-methyl-γ-oxo-
4-(4-fluorophenyl)-2-methyl-4-oxobutanoicacidEN300-331492Z838957184
Database identifiers
- CAS
68415-18-9- PubChem CID
- 345402
- DTXSID
DTXSID70323091
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 122 · 122-124 °C
- Boiling point
- 374.5 · 374.5±22.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 4.53 · 4.53±0.23(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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