2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone

C12H14FNO — CID 107129770

IUPAC2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2CNC2)cc1F
InChIInChI=1S/C12H14FNO/c1-8-2-3-10(5-11(8)13)12(15)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3
InChIKeyWLWBDWQDWIMPSC-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.93
Rot. Bonds3

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

2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 107129770) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID107129770
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2CNC2)cc1F
InChIInChI=1S/C12H14FNO/c1-8-2-3-10(5-11(8)13)12(15)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3
InChIKeyWLWBDWQDWIMPSC-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
3-[(3-fluoro-4-methylphenyl)methyl]azetidine
CID 63647017
1-adamantyl-(3-fluoro-4-methylphenyl)methanone
CID 107128298
2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 116582339
2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 103805242

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone (CID 107129770) is 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CC2CNC2)cc1F.
What is the InChIKey of 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is WLWBDWQDWIMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-2-3-10(5-11(8)13)12(15)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone?
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone has a molecular weight of 207.25 g/mol, XLogP of 1.93, 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-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 107129770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).