1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol

C10H12F2O3S — CID 115799713

IUPAC1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C10H12F2O3S/c1-6(16(2,14)15)10(13)9-7(11)4-3-5-8(9)12/h3-6,10,13H,1-2H3
InChIKeyILLBCJBQBZGAOB-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.43
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol

1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol (PubChem CID 115799713) has the molecular formula C10H12F2O3S and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
PubChem CID115799713
Molecular FormulaC10H12F2O3S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C10H12F2O3S/c1-6(16(2,14)15)10(13)9-7(11)4-3-5-8(9)12/h3-6,10,13H,1-2H3
InChIKeyILLBCJBQBZGAOB-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol (CID 115799713) is 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol is CC(C(O)c1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol?
The InChIKey is ILLBCJBQBZGAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3S/c1-6(16(2,14)15)10(13)9-7(11)4-3-5-8(9)12/h3-6,10,13H,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol?
1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol has a molecular weight of 250.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 115799713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).