1-[4-(Fluoromethyl)phenyl]pyrazolidin-3-one
Basic information
- CAS
100937-11-9- Standard SMILES
O=C1CCN(c2ccc(CF)cc2)N1- InChIKey
JEEMLNLBLSBQTO-UHFFFAOYSA-N- Molecular formula
- C10H11FN2O
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.08554114
Names & identifiers
- Preferred name
- 1-[4-(Fluoromethyl)phenyl]pyrazolidin-3-one
- IUPAC
- 1-[4-(fluoromethyl)phenyl]pyrazolidin-3-one
- English name
- 1-[4-(Fluoromethyl)phenyl]-3-hydroxy-2-pyrazoline
- Molecular formula
- C10H9F3N2O
- Molecular weight
- 230.19
Names & synonyms
1-[4-(fluoromethyl)phenyl]pyrazolidin-3-one1-[4-(Fluoromethyl)phenyl]-3-hydroxy-2-pyrazolineDTXSID906951213-Pyrazolidinone, 1-[4-(trifluoromethyl)phenyl]-1-[4-(Trifluoromethyl)phenyl]-3-hydroxy-2-pyrazoline1-(4-(TrifluoroMethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-ol3-HYDROXY-1-[4-(TRIFLUOROMETHYL)PHENYL]-4,5-DIHYDRO-1H-PYRAZOLE
Database identifiers
- CAS
100937-11-9- PubChem CID
- 53403147
- DTXSID
DTXSID90695121
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 9.24 · 9.24±0.50(Predicted)
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Compound notes
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