2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one

C13H16FNO — CID 116680644

IUPAC2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)C(C)C2CNC2)ccc1F
InChIInChI=1S/C13H16FNO/c1-8-5-10(3-4-12(8)14)13(16)9(2)11-6-15-7-11/h3-5,9,11,15H,6-7H2,1-2H3
InChIKeyVYOZAAREZYGEMA-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.17
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one

2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one (PubChem CID 116680644) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one
PubChem CID116680644
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one
SMILESCc1cc(C(=O)C(C)C2CNC2)ccc1F
InChIInChI=1S/C13H16FNO/c1-8-5-10(3-4-12(8)14)13(16)9(2)11-6-15-7-11/h3-5,9,11,15H,6-7H2,1-2H3
InChIKeyVYOZAAREZYGEMA-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-one
CID 82040171
4-(4-fluoro-3-methylphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414571
1-(4-fluoro-3-methylphenyl)-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923264
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
CID 116675477
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
3-(cyclopropylamino)-4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid
CID 82322744
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one (CID 116680644) is 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one is Cc1cc(C(=O)C(C)C2CNC2)ccc1F.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one?
The InChIKey is VYOZAAREZYGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-8-5-10(3-4-12(8)14)13(16)9(2)11-6-15-7-11/h3-5,9,11,15H,6-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one?
2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one has a molecular weight of 221.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(4-fluoro-3-methylphenyl)propan-1-one is sourced from PubChem (CID 116680644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).