azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone

C11H12FNO — CID 116583692

IUPACazetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2CNC2)c1
InChIInChI=1S/C11H12FNO/c1-7-2-3-10(12)9(4-7)11(14)8-5-13-6-8/h2-4,8,13H,5-6H2,1H3
InChIKeyWYORGNJPDIDTGG-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.54
Rot. Bonds2

About azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone

azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone (PubChem CID 116583692) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
PubChem CID116583692
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Nameazetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2CNC2)c1
InChIInChI=1S/C11H12FNO/c1-7-2-3-10(12)9(4-7)11(14)8-5-13-6-8/h2-4,8,13H,5-6H2,1H3
InChIKeyWYORGNJPDIDTGG-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 63911957
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
(2-fluoro-5-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944984
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115786050
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
2,3-dihydro-1H-indol-2-yl-(2-fluoro-5-methylphenyl)methanone
CID 116596855
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone (CID 116583692) is azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)C2CNC2)c1.
What is the InChIKey of azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is WYORGNJPDIDTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-2-3-10(12)9(4-7)11(14)8-5-13-6-8/h2-4,8,13H,5-6H2,1H3.
What are the key properties of azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone?
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 193.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 116583692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).