2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one

C16H14F2O — CID 132547565

IUPAC2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccccc1CC(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C16H14F2O/c1-12-7-5-6-10-14(12)11-16(17,18)15(19)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyXWBVKEHZSOASGZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.06
Rot. Bonds4

About 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one

2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one (PubChem CID 132547565) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one
PubChem CID132547565
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccccc1CC(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C16H14F2O/c1-12-7-5-6-10-14(12)11-16(17,18)15(19)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyXWBVKEHZSOASGZ-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene
CID 144803038
2,2-difluoro-1-phenylhexane-1,5-dione
CID 10561190
2-(2-methylphenyl)acetic acid
CID 67440217
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 132547557
1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
CID 166564224
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 79796402
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
2-ethyl-2-[(2-methylphenyl)methyl]hexanoic acid
CID 63402696
3-(5-tert-butyl-2-methylphenyl)-2,2-difluoropropanoic acid
CID 116838224

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one (CID 132547565) is 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one is Cc1ccccc1CC(F)(F)C(=O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one?
The InChIKey is XWBVKEHZSOASGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-12-7-5-6-10-14(12)11-16(17,18)15(19)13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one?
2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one has a molecular weight of 260.28 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 132547565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).