1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone

C11H10F2O — CID 83808662

IUPAC1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2F)CC1
InChIInChI=1S/C11H10F2O/c1-7(14)11(5-6-11)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3
InChIKeyYYSKZLQZIWTICI-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.59
Rot. Bonds2

About 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone

1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone (PubChem CID 83808662) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
PubChem CID83808662
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2F)CC1
InChIInChI=1S/C11H10F2O/c1-7(14)11(5-6-11)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3
InChIKeyYYSKZLQZIWTICI-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-chloro-6-fluorophenyl)cyclopropyl]ethanone
CID 82284313
1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
CID 83808664
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861
1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
CID 117325508
1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
CID 83685876
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
CID 154775614
1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 110485219
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate
CID 7678896

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone (CID 83808662) is 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone is CC(=O)C1(c2c(F)cccc2F)CC1.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone?
The InChIKey is YYSKZLQZIWTICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c1-7(14)11(5-6-11)10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone?
1-[1-(2,6-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-(2,6-difluorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 83808662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).