4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one

C11H12FNO — CID 67692307

IUPAC4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one
SMILESCC1(C)C(=O)N(c2ccccc2)C1F
InChIInChI=1S/C11H12FNO/c1-11(2)9(12)13(10(11)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyPJCUMHVJFDXLDO-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.36
Rot. Bonds1

About 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one

4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one (PubChem CID 67692307) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one.

Molecular Properties

Compound Name4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one
PubChem CID67692307
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one
SMILESCC1(C)C(=O)N(c2ccccc2)C1F
InChIInChI=1S/C11H12FNO/c1-11(2)9(12)13(10(11)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyPJCUMHVJFDXLDO-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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Formamide, N-ethyl-N-phenyl-
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N-Propylacetanilide
CID 17098
2-chloro-N-ethyl-N-phenylpropanamide
CID 3817326
N-Methyl-N-phenylprop-2-enamide
CID 234887
1-Phenylazetidin-2-one
CID 570854
1-Phenylpyrrolidin-2-one
CID 78375
2,2-Dimethyl-4'-fluoropropionanilide
CID 310095

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one?
The IUPAC name of 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one (CID 67692307) is 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one.
What is the SMILES notation for 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one?
The canonical SMILES for 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one is CC1(C)C(=O)N(c2ccccc2)C1F.
What is the InChIKey of 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one?
The InChIKey is PJCUMHVJFDXLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-11(2)9(12)13(10(11)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one?
4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one is sourced from PubChem (CID 67692307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).