2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride

C10H11ClF2O2S — CID 116866432

IUPAC2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)c1ccc(F)cc1F
InChIInChI=1S/C10H11ClF2O2S/c1-10(2,6-16(11,14)15)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyCAORMGUYQVSQAB-UHFFFAOYSA-N
MW268.71 g/mol
LogP2.81
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride

2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride (PubChem CID 116866432) has the molecular formula C10H11ClF2O2S and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
PubChem CID116866432
Molecular FormulaC10H11ClF2O2S
Molecular Weight268.71 g/mol
Exact Mass268.01
IUPAC Name2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)(CS(=O)(=O)Cl)c1ccc(F)cc1F
InChIInChI=1S/C10H11ClF2O2S/c1-10(2,6-16(11,14)15)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3
InChIKeyCAORMGUYQVSQAB-UHFFFAOYSA-N
XLogP2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 82308452
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene
CID 176962809
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
2-ethyl-4-fluorobenzenesulfonyl chloride
CID 87439180
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(2,4-difluorophenyl)-2-methylbutanenitrile
CID 117047762
2-(2,4-difluorophenyl)-2-ethylbutanoic acid
CID 64560988
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride (CID 116866432) is 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride is CC(C)(CS(=O)(=O)Cl)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride?
The InChIKey is CAORMGUYQVSQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2S/c1-10(2,6-16(11,14)15)8-4-3-7(12)5-9(8)13/h3-5H,6H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride?
2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride has a molecular weight of 268.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 116866432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).