2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one

C11H11F3O — CID 130665453

IUPAC2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(F)F)c(F)c1
InChIInChI=1S/C11H11F3O/c1-6-4-7(2)9(8(12)5-6)10(15)11(3,13)14/h4-5H,1-3H3
InChIKeyVLZPGKGQCJGTCZ-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.28
Rot. Bonds2

About 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one

2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one (PubChem CID 130665453) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
PubChem CID130665453
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(F)F)c(F)c1
InChIInChI=1S/C11H11F3O/c1-6-4-7(2)9(8(12)5-6)10(15)11(3,13)14/h4-5H,1-3H3
InChIKeyVLZPGKGQCJGTCZ-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
2-(azepan-1-yl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106880847
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883112
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106883114
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 106883351
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106880851
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one (CID 130665453) is 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)C(C)(F)F)c(F)c1.
What is the InChIKey of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
The InChIKey is VLZPGKGQCJGTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-6-4-7(2)9(8(12)5-6)10(15)11(3,13)14/h4-5H,1-3H3.
What are the key properties of 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one?
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one has a molecular weight of 216.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one is sourced from PubChem (CID 130665453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).