1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol

C15H21FO3S — CID 122496687

IUPAC1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1(O)CCCCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FO3S/c1-14(2,15(17)9-4-3-5-10-15)20(18,19)13-8-6-7-12(16)11-13/h6-8,11,17H,3-5,9-10H2,1-2H3
InChIKeyKWRVFXQLQGUHMM-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.07
Rot. Bonds3

About 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol

1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol (PubChem CID 122496687) has the molecular formula C15H21FO3S and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol
PubChem CID122496687
Molecular FormulaC15H21FO3S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1(O)CCCCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FO3S/c1-14(2,15(17)9-4-3-5-10-15)20(18,19)13-8-6-7-12(16)11-13/h6-8,11,17H,3-5,9-10H2,1-2H3
InChIKeyKWRVFXQLQGUHMM-UHFFFAOYSA-N
XLogP3.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol (CID 122496687) is 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol is CC(C)(C1(O)CCCCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol?
The InChIKey is KWRVFXQLQGUHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3S/c1-14(2,15(17)9-4-3-5-10-15)20(18,19)13-8-6-7-12(16)11-13/h6-8,11,17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol?
1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol has a molecular weight of 300.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)sulfonylpropan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 122496687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).