1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone

C11H12F2O — CID 123835256

IUPAC1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
SMILESCC(=O)c1c(C)c(C)c(C)c(F)c1F
InChIInChI=1S/C11H12F2O/c1-5-6(2)9(8(4)14)11(13)10(12)7(5)3/h1-4H3
InChIKeyUGRGMUWRHVNVIH-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.09
Rot. Bonds1

About 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone

1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone (PubChem CID 123835256) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
PubChem CID123835256
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
SMILESCC(=O)c1c(C)c(C)c(C)c(F)c1F
InChIInChI=1S/C11H12F2O/c1-5-6(2)9(8(4)14)11(13)10(12)7(5)3/h1-4H3
InChIKeyUGRGMUWRHVNVIH-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone (CID 123835256) is 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone is CC(=O)c1c(C)c(C)c(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone?
The InChIKey is UGRGMUWRHVNVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-5-6(2)9(8(4)14)11(13)10(12)7(5)3/h1-4H3.
What are the key properties of 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone?
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone has a molecular weight of 198.21 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone is sourced from PubChem (CID 123835256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).