1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol

C9H10F2O3S — CID 117344397

IUPAC1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol
SMILESCC(O)c1cc(S(C)(=O)=O)cc(F)c1F
InChIInChI=1S/C9H10F2O3S/c1-5(12)7-3-6(15(2,13)14)4-8(10)9(7)11/h3-5,12H,1-2H3
InChIKeyWSMFFUVFTYZFQG-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.42
Rot. Bonds2

About 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol

1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol (PubChem CID 117344397) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol
PubChem CID117344397
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Name1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol
SMILESCC(O)c1cc(S(C)(=O)=O)cc(F)c1F
InChIInChI=1S/C9H10F2O3S/c1-5(12)7-3-6(15(2,13)14)4-8(10)9(7)11/h3-5,12H,1-2H3
InChIKeyWSMFFUVFTYZFQG-UHFFFAOYSA-N
XLogP1.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
1-(3-fluoro-5-methylsulfonylphenyl)ethanol
CID 84683544
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
CID 117412069
(2,6-difluoro-4-methylsulfonylphenyl)thiourea
CID 169359581
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052
3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
CID 84803337
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375869
3-fluoro-5-methylsulfonyl-2-propan-2-ylpyridine
CID 58333433
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol?
The IUPAC name of 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol (CID 117344397) is 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol?
The canonical SMILES for 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol is CC(O)c1cc(S(C)(=O)=O)cc(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol?
The InChIKey is WSMFFUVFTYZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c1-5(12)7-3-6(15(2,13)14)4-8(10)9(7)11/h3-5,12H,1-2H3.
What are the key properties of 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol?
1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol has a molecular weight of 236.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117344397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).