1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one

C16H13ClF2O — CID 107475705

IUPAC1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1cc(F)c(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H13ClF2O/c1-16(2,10-6-4-3-5-7-10)15(20)11-8-13(18)14(19)9-12(11)17/h3-9H,1-2H3
InChIKeyCWPPZCCITDYUBZ-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.78
Rot. Bonds3

About 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one

1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one (PubChem CID 107475705) has the molecular formula C16H13ClF2O and a molecular weight of 294.73 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
PubChem CID107475705
Molecular FormulaC16H13ClF2O
Molecular Weight294.73 g/mol
Exact Mass294.06
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1cc(F)c(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H13ClF2O/c1-16(2,10-6-4-3-5-7-10)15(20)11-8-13(18)14(19)9-12(11)17/h3-9H,1-2H3
InChIKeyCWPPZCCITDYUBZ-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 105398381
1-(3-fluoro-4-pyridinyl)-2-methyl-2-phenylpropan-1-one
CID 104737833
1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylbutan-1-one
CID 107475777
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
1-(4-fluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084504
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
CID 114725241
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
CID 82781940
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920451
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one
CID 102762770
1-(2,4-dichlorophenyl)-3-methyl-3-phenylbutan-2-one
CID 63409988

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one (CID 107475705) is 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)c1cc(F)c(F)cc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is CWPPZCCITDYUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O/c1-16(2,10-6-4-3-5-7-10)15(20)11-8-13(18)14(19)9-12(11)17/h3-9H,1-2H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one?
1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 294.73 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 107475705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).