1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone

C11H10F2O — CID 83685876

IUPAC1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C11H10F2O/c1-7(14)11(4-5-11)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5H2,1H3
InChIKeyHXUKTEMDTFXWNS-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.59
Rot. Bonds2

About 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone

1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone (PubChem CID 83685876) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
PubChem CID83685876
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C11H10F2O/c1-7(14)11(4-5-11)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5H2,1H3
InChIKeyHXUKTEMDTFXWNS-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
1-(2,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 83684038
1-(2,4-difluorophenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016879
1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
CID 83808662
3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 120522765
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529406
4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
CID 68622399
1-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 141281979
(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
CID 10899632
1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117112349

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone (CID 83685876) is 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone is CC(=O)C1(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone?
The InChIKey is HXUKTEMDTFXWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-7(14)11(4-5-11)9-3-2-8(12)6-10(9)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone?
1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone has a molecular weight of 196.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 83685876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).