1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone

C17H12F4O — CID 169240349

IUPAC1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone
SMILESCC(=O)C1C(c2ccccc2-c2c(F)cccc2F)C1(F)F
InChIInChI=1S/C17H12F4O/c1-9(22)15-16(17(15,20)21)11-6-3-2-5-10(11)14-12(18)7-4-8-13(14)19/h2-8,15-16H,1H3
InChIKeyHXCIRIGUPTYBDL-UHFFFAOYSA-N
MW308.27 g/mol
LogP4.57
Rot. Bonds3

About 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone

1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone (PubChem CID 169240349) has the molecular formula C17H12F4O and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone
PubChem CID169240349
Molecular FormulaC17H12F4O
Molecular Weight308.27 g/mol
Exact Mass308.08
IUPAC Name1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone
SMILESCC(=O)C1C(c2ccccc2-c2c(F)cccc2F)C1(F)F
InChIInChI=1S/C17H12F4O/c1-9(22)15-16(17(15,20)21)11-6-3-2-5-10(11)14-12(18)7-4-8-13(14)19/h2-8,15-16H,1H3
InChIKeyHXCIRIGUPTYBDL-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1-[2-(2,3-difluorophenyl)-3-methylphenyl]ethanone
CID 68833018
cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde
CID 174141637
1-[(1S,2R,6S)-3-acetyl-2-(2-fluorophenyl)-6-hydroxy-6-methyl-4-(4-methylanilino)cyclohex-3-en-1-yl]ethanone
CID 7394456
(4-amino-2-methylazepan-1-yl)-[2-[2-(2,6-difluorophenyl)phenyl]cyclopropyl]methanone
CID 169240002
1,2-difluoro-3-(2-fluoro-6-methylphenyl)benzene
CID 134620923
1-[3-acetyl-2-(2-fluorophenyl)azulen-1-yl]ethanone
CID 157391831
2,2-difluoro-3-methyl-3H-inden-1-one
CID 130383048
1-(4-aminoazepane-1-carbonyl)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbonitrile
CID 169240329
N-[[1-[2-[2-(2,6-difluorophenyl)phenyl]-1-methylcyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
CID 176849170
3-acetyl-4-(2-fluorophenyl)-2-methyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
CID 3849038

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone?
The IUPAC name of 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone (CID 169240349) is 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone.
What is the SMILES notation for 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone?
The canonical SMILES for 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone is CC(=O)C1C(c2ccccc2-c2c(F)cccc2F)C1(F)F.
What is the InChIKey of 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone?
The InChIKey is HXCIRIGUPTYBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4O/c1-9(22)15-16(17(15,20)21)11-6-3-2-5-10(11)14-12(18)7-4-8-13(14)19/h2-8,15-16H,1H3.
What are the key properties of 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone?
1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone has a molecular weight of 308.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,6-difluorophenyl)phenyl]-2,2-difluorocyclopropyl]ethanone is sourced from PubChem (CID 169240349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).