3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one

C17H16F2O — CID 151177230

IUPAC3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccc(C(C)(C(=O)c2ccccc2)C(F)F)cc1
InChIInChI=1S/C17H16F2O/c1-12-8-10-14(11-9-12)17(2,16(18)19)15(20)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyNDNDZHFILZYAKM-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.40
Rot. Bonds4

About 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one

3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one (PubChem CID 151177230) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
PubChem CID151177230
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
SMILESCc1ccc(C(C)(C(=O)c2ccccc2)C(F)F)cc1
InChIInChI=1S/C17H16F2O/c1-12-8-10-14(11-9-12)17(2,16(18)19)15(20)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyNDNDZHFILZYAKM-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
benzoic acid;4-methylbenzoic acid
CID 71272637
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
CID 175526561
2-methyl-2-(4-methylphenyl)sulfonyl-1-phenylpropan-1-one
CID 13445258
2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
CID 131857858
N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
CID 135004139
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830
2,2-dimethyl-4-(4-methylphenyl)-1-phenylbut-3-yn-1-one
CID 101226784
3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one (CID 151177230) is 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one is Cc1ccc(C(C)(C(=O)c2ccccc2)C(F)F)cc1.
What is the InChIKey of 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one?
The InChIKey is NDNDZHFILZYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-12-8-10-14(11-9-12)17(2,16(18)19)15(20)13-6-4-3-5-7-13/h3-11,16H,1-2H3.
What are the key properties of 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one?
3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one has a molecular weight of 274.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 151177230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).