1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol

C10H11FO3S — CID 117332324

IUPAC1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol
SMILESCS(=O)(=O)c1cccc(F)c1C1(O)CC1
InChIInChI=1S/C10H11FO3S/c1-15(13,14)8-4-2-3-7(11)9(8)10(12)5-6-10/h2-4,12H,5-6H2,1H3
InChIKeyFXCGVGYPJVZMCX-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.21
Rot. Bonds2

About 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol

1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol (PubChem CID 117332324) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol
PubChem CID117332324
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol
SMILESCS(=O)(=O)c1cccc(F)c1C1(O)CC1
InChIInChI=1S/C10H11FO3S/c1-15(13,14)8-4-2-3-7(11)9(8)10(12)5-6-10/h2-4,12H,5-6H2,1H3
InChIKeyFXCGVGYPJVZMCX-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol (CID 117332324) is 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol is CS(=O)(=O)c1cccc(F)c1C1(O)CC1.
What is the InChIKey of 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol?
The InChIKey is FXCGVGYPJVZMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-15(13,14)8-4-2-3-7(11)9(8)10(12)5-6-10/h2-4,12H,5-6H2,1H3.
What are the key properties of 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol?
1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol has a molecular weight of 230.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117332324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).