2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol

C10H12F2O3S — CID 117378642

IUPAC2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
SMILESCC(CO)c1cc(S(C)(=O)=O)cc(F)c1F
InChIInChI=1S/C10H12F2O3S/c1-6(5-13)8-3-7(16(2,14)15)4-9(11)10(8)12/h3-4,6,13H,5H2,1-2H3
InChIKeyZPTABFYAAVNJCE-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.46
Rot. Bonds3

About 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol

2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol (PubChem CID 117378642) has the molecular formula C10H12F2O3S and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
PubChem CID117378642
Molecular FormulaC10H12F2O3S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
SMILESCC(CO)c1cc(S(C)(=O)=O)cc(F)c1F
InChIInChI=1S/C10H12F2O3S/c1-6(5-13)8-3-7(16(2,14)15)4-9(11)10(8)12/h3-4,6,13H,5H2,1-2H3
InChIKeyZPTABFYAAVNJCE-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol
CID 117344397
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
2-(3-chloro-2,4,5-trifluorophenyl)propan-1-ol
CID 117113620
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol
CID 117374989
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
CID 117373177
2-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374990
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
CID 117412069
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol (CID 117378642) is 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol is CC(CO)c1cc(S(C)(=O)=O)cc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
The InChIKey is ZPTABFYAAVNJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3S/c1-6(5-13)8-3-7(16(2,14)15)4-9(11)10(8)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol has a molecular weight of 250.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 117378642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).