3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol

C11H19F3O3S — CID 114983827

IUPAC3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCS(=O)(=O)CCC(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3O3S/c1-18(16,17)7-6-10(15)8-4-2-3-5-9(8)11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyYVJRQKPIXKAJMK-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.15
Rot. Bonds4

About 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol

3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 114983827) has the molecular formula C11H19F3O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID114983827
Molecular FormulaC11H19F3O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCS(=O)(=O)CCC(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3O3S/c1-18(16,17)7-6-10(15)8-4-2-3-5-9(8)11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyYVJRQKPIXKAJMK-UHFFFAOYSA-N
XLogP2.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 114983827) is 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol is CS(=O)(=O)CCC(O)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is YVJRQKPIXKAJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3S/c1-18(16,17)7-6-10(15)8-4-2-3-5-9(8)11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol has a molecular weight of 288.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 114983827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).