[2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol

C17H23FO3S — CID 67084686

IUPAC[2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol
SMILESCS(=O)(=O)c1ccc(C2(CO)CC2C2CCCCC2)cc1F
InChIInChI=1S/C17H23FO3S/c1-22(20,21)16-8-7-13(9-15(16)18)17(11-19)10-14(17)12-5-3-2-4-6-12/h7-9,12,14,19H,2-6,10-11H2,1H3
InChIKeyCHVRMXGLUQYSNX-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.06
Rot. Bonds4

About [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol

[2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol (PubChem CID 67084686) has the molecular formula C17H23FO3S and a molecular weight of 326.43 g/mol. Its IUPAC name is [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol
PubChem CID67084686
Molecular FormulaC17H23FO3S
Molecular Weight326.43 g/mol
Exact Mass326.14
IUPAC Name[2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol
SMILESCS(=O)(=O)c1ccc(C2(CO)CC2C2CCCCC2)cc1F
InChIInChI=1S/C17H23FO3S/c1-22(20,21)16-8-7-13(9-15(16)18)17(11-19)10-14(17)12-5-3-2-4-6-12/h7-9,12,14,19H,2-6,10-11H2,1H3
InChIKeyCHVRMXGLUQYSNX-UHFFFAOYSA-N
XLogP3.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
The IUPAC name of [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol (CID 67084686) is [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
The canonical SMILES for [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol is CS(=O)(=O)c1ccc(C2(CO)CC2C2CCCCC2)cc1F.
What is the InChIKey of [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
The InChIKey is CHVRMXGLUQYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3S/c1-22(20,21)16-8-7-13(9-15(16)18)17(11-19)10-14(17)12-5-3-2-4-6-12/h7-9,12,14,19H,2-6,10-11H2,1H3.
What are the key properties of [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol?
[2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol has a molecular weight of 326.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-1-(3-fluoro-4-methylsulfonylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 67084686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).