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

C10H12F2O3S — CID 117378627

IUPAC1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol
SMILESCC(O)Cc1cc(F)cc(S(C)(=O)=O)c1F
InChIInChI=1S/C10H12F2O3S/c1-6(13)3-7-4-8(11)5-9(10(7)12)16(2,14)15/h4-6,13H,3H2,1-2H3
InChIKeyAITZXDLWZOFFOE-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.29
Rot. Bonds3

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

1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol (PubChem CID 117378627) has the molecular formula C10H12F2O3S and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol
PubChem CID117378627
Molecular FormulaC10H12F2O3S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol
SMILESCC(O)Cc1cc(F)cc(S(C)(=O)=O)c1F
InChIInChI=1S/C10H12F2O3S/c1-6(13)3-7-4-8(11)5-9(10(7)12)16(2,14)15/h4-6,13H,3H2,1-2H3
InChIKeyAITZXDLWZOFFOE-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
CID 117410056
1-(2,3,5-trifluoro-4-methylsulfonylphenyl)propan-2-ol
CID 117424014
3-(2,5-difluoro-3-methylsulfonylphenyl)propanoic acid
CID 117414591
4-[(2,5-difluoro-3-methylsulfonylphenyl)methyl]piperidine
CID 117467494
2-(2-hydroxypropyl)-5-methylsulfonylphenol
CID 117332645
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117414933
2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid
CID 117416606
1-(2,3-dimethoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117438463
2-amino-3-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117470379
1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
1-(bromomethyl)-4-fluoro-2-methylsulfonylbenzene
CID 58836824

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol (CID 117378627) is 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol is CC(O)Cc1cc(F)cc(S(C)(=O)=O)c1F.
What is the InChIKey of 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol?
The InChIKey is AITZXDLWZOFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3S/c1-6(13)3-7-4-8(11)5-9(10(7)12)16(2,14)15/h4-6,13H,3H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol?
1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol has a molecular weight of 250.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 117378627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).