2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol

C11H14F2O3S — CID 105425792

IUPAC2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol
SMILESCC(C)S(=O)(=O)c1cccc(C(F)(F)CO)c1
InChIInChI=1S/C11H14F2O3S/c1-8(2)17(15,16)10-5-3-4-9(6-10)11(12,13)7-14/h3-6,8,14H,7H2,1-2H3
InChIKeyGECUDBWICUAFMA-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds4

About 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol

2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol (PubChem CID 105425792) has the molecular formula C11H14F2O3S and a molecular weight of 264.29 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol
PubChem CID105425792
Molecular FormulaC11H14F2O3S
Molecular Weight264.29 g/mol
Exact Mass264.06
IUPAC Name2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol
SMILESCC(C)S(=O)(=O)c1cccc(C(F)(F)CO)c1
InChIInChI=1S/C11H14F2O3S/c1-8(2)17(15,16)10-5-3-4-9(6-10)11(12,13)7-14/h3-6,8,14H,7H2,1-2H3
InChIKeyGECUDBWICUAFMA-UHFFFAOYSA-N
XLogP1.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanamine
CID 105425671
1-(1-chloroethylsulfonyl)-3-(trifluoromethyl)benzene
CID 140553640
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
3-propan-2-ylsulfonylphenol
CID 23588863
3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid
CID 43351604
1-methylsulfonyl-3-propan-2-ylsulfonylbenzene
CID 12763283
2-(3-tert-butylphenyl)sulfonylpropanoic acid
CID 70809975
3-(3-propan-2-ylsulfonylphenyl)butanoic acid
CID 83957493
ethyl 2-[3-(trifluoromethyl)phenyl]sulfonylbutanoate
CID 64662891
3-(methylamino)-3-(3-propan-2-ylsulfonylphenyl)propan-1-ol
CID 83926943
1-(3-propan-2-ylsulfonylphenyl)butan-1-one
CID 83957507
3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
CID 71977096

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol?
The IUPAC name of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol (CID 105425792) is 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol is CC(C)S(=O)(=O)c1cccc(C(F)(F)CO)c1.
What is the InChIKey of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol?
The InChIKey is GECUDBWICUAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3S/c1-8(2)17(15,16)10-5-3-4-9(6-10)11(12,13)7-14/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol?
2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol has a molecular weight of 264.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol is sourced from PubChem (CID 105425792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).