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

C10H12F2O3S — CID 117378649

IUPAC3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1cc(F)c(F)c(CCCO)c1
InChIInChI=1S/C10H12F2O3S/c1-16(14,15)8-5-7(3-2-4-13)10(12)9(11)6-8/h5-6,13H,2-4H2,1H3
InChIKeyLOGLDESDVFQDHZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.29
Rot. Bonds4

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

3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol (PubChem CID 117378649) has the molecular formula C10H12F2O3S and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
PubChem CID117378649
Molecular FormulaC10H12F2O3S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1cc(F)c(F)c(CCCO)c1
InChIInChI=1S/C10H12F2O3S/c1-16(14,15)8-5-7(3-2-4-13)10(12)9(11)6-8/h5-6,13H,2-4H2,1H3
InChIKeyLOGLDESDVFQDHZ-UHFFFAOYSA-N
XLogP1.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol (CID 117378649) is 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol is CS(=O)(=O)c1cc(F)c(F)c(CCCO)c1.
What is the InChIKey of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
The InChIKey is LOGLDESDVFQDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3S/c1-16(14,15)8-5-7(3-2-4-13)10(12)9(11)6-8/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol?
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol has a molecular weight of 250.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 117378649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).