1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol

C10H17F3O3S — CID 65153754

IUPAC1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCS(=O)(=O)CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3O3S/c1-17(15,16)6-5-9(14)4-2-3-8(7-9)10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyIFMHGZULNPYCPX-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.90
Rot. Bonds3

About 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65153754) has the molecular formula C10H17F3O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65153754
Molecular FormulaC10H17F3O3S
Molecular Weight274.30 g/mol
Exact Mass274.09
IUPAC Name1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCS(=O)(=O)CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3O3S/c1-17(15,16)6-5-9(14)4-2-3-8(7-9)10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyIFMHGZULNPYCPX-UHFFFAOYSA-N
XLogP1.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3R)-1-(2-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 138668125
1-(3-Methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153648
1-(3-Methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153751
1-(3-Ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 65153756
1-(2-Methylsulfonylethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153859
1-(3-Ethylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153861
1-(3-Methylsulfonylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 80060698
4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082592
4-Methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082645
4-Ethylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105101776
8,8,8-Trifluoro-4-methyl-1-methylsulfonyloctan-4-ol
CID 113533956
3-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol
CID 114983840

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 65153754) is 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol is CS(=O)(=O)CCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is IFMHGZULNPYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3S/c1-17(15,16)6-5-9(14)4-2-3-8(7-9)10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 274.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65153754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).