1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone

C12H11F2NO2 — CID 151260037

IUPAC1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H11F2NO2/c1-7(16)15-5-8(6-15)12(17)10-3-2-9(13)4-11(10)14/h2-4,8H,5-6H2,1H3
InChIKeyNUDVWIWWFTYDIG-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.63
Rot. Bonds2

About 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone

1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone (PubChem CID 151260037) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone
PubChem CID151260037
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H11F2NO2/c1-7(16)15-5-8(6-15)12(17)10-3-2-9(13)4-11(10)14/h2-4,8H,5-6H2,1H3
InChIKeyNUDVWIWWFTYDIG-UHFFFAOYSA-N
XLogP1.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 64728885
(2,4-difluorophenyl)-(thietan-3-yl)methanone
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1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
CID 23048180
3-(2,4-difluorobenzoyl)cyclopentan-1-one
CID 79639435
(2S)-2-amino-1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67529877
1-[(E)-3-(2,4-difluorophenyl)but-2-enoyl]piperidine-3-carboxylic acid
CID 132984176
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045460
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone (CID 151260037) is 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone is CC(=O)N1CC(C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone?
The InChIKey is NUDVWIWWFTYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-7(16)15-5-8(6-15)12(17)10-3-2-9(13)4-11(10)14/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone?
1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone has a molecular weight of 239.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 151260037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).