1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one

C16H14F2O2S — CID 64638736

IUPAC1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one
SMILESCc1ccccc1S(=O)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O2S/c1-10-5-3-4-6-15(10)21(20)11(2)16(19)12-7-8-13(17)14(18)9-12/h3-9,11H,1-2H3
InChIKeyBFDXFPTYXGRGJK-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.65
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one

1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one (PubChem CID 64638736) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one
PubChem CID64638736
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one
SMILESCc1ccccc1S(=O)C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O2S/c1-10-5-3-4-6-15(10)21(20)11(2)16(19)12-7-8-13(17)14(18)9-12/h3-9,11H,1-2H3
InChIKeyBFDXFPTYXGRGJK-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64637415
2-butan-2-ylsulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64640863
3-amino-1-(3,4-difluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 116598880
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
1-(3,4-difluorophenyl)-2-[methyl(2-methylpropyl)amino]propan-1-one
CID 43795734
1-(3,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
CID 43218651
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913
2-(aminomethyl)-1-(3,4-difluorophenyl)-3-methylbutan-1-one
CID 116573820
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one (CID 64638736) is 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one is Cc1ccccc1S(=O)C(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one?
The InChIKey is BFDXFPTYXGRGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-10-5-3-4-6-15(10)21(20)11(2)16(19)12-7-8-13(17)14(18)9-12/h3-9,11H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one?
1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one has a molecular weight of 308.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one is sourced from PubChem (CID 64638736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).