2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone

C11H12F2O — CID 91636257

IUPAC2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)C(F)F)cc1
InChIInChI=1S/C11H12F2O/c1-7(2)8-3-5-9(6-4-8)10(14)11(12)13/h3-7,11H,1-2H3
InChIKeyIHHOEDUJOTUSEH-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.26
Rot. Bonds3

About 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone

2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 91636257) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
PubChem CID91636257
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)C(F)F)cc1
InChIInChI=1S/C11H12F2O/c1-7(2)8-3-5-9(6-4-8)10(14)11(12)13/h3-7,11H,1-2H3
InChIKeyIHHOEDUJOTUSEH-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
CID 131857858
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-propan-2-ylphenyl)pentan-1-one
CID 146007209
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one
CID 62678406
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
lithium 4-propan-2-ylbenzoate
CID 58547643
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
2-methyl-1-(4-propan-2-ylphenyl)but-2-en-1-one
CID 123351544
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone (CID 91636257) is 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)C(F)F)cc1.
What is the InChIKey of 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is IHHOEDUJOTUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-7(2)8-3-5-9(6-4-8)10(14)11(12)13/h3-7,11H,1-2H3.
What are the key properties of 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone?
2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 198.21 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 91636257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).