1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol

C11H19F3O4S — CID 103216985

IUPAC1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCS(=O)(=O)C1CCCC(C(O)COCC(F)(F)F)C1
InChIInChI=1S/C11H19F3O4S/c1-19(16,17)9-4-2-3-8(5-9)10(15)6-18-7-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyILBXRRKKXURBDZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.53
Rot. Bonds5

About 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103216985) has the molecular formula C11H19F3O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103216985
Molecular FormulaC11H19F3O4S
Molecular Weight304.33 g/mol
Exact Mass304.10
IUPAC Name1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCS(=O)(=O)C1CCCC(C(O)COCC(F)(F)F)C1
InChIInChI=1S/C11H19F3O4S/c1-19(16,17)9-4-2-3-8(5-9)10(15)6-18-7-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyILBXRRKKXURBDZ-UHFFFAOYSA-N
XLogP1.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-(2-cyclohexyl-2-hydroxyethoxy)-1,1-difluoroethanesulfonate
CID 88860631
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-ol
CID 80060553
2,2,2-Trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 80061029
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 80063240
1-(3-Methylsulfonylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147431
3-(2,2-Difluoroethoxy)-1-(3-methylsulfonylcyclohexyl)propan-1-ol
CID 103147710
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol
CID 103312584
1-(3-Methylsulfonylcyclohexyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473949
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 104373677
(1R)-2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 104373908
1-(4,4-Difluorocyclohexyl)-4-methylsulfonylbutan-1-ol
CID 105082591
4-Methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082592

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103216985) is 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol is CS(=O)(=O)C1CCCC(C(O)COCC(F)(F)F)C1.
What is the InChIKey of 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is ILBXRRKKXURBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O4S/c1-19(16,17)9-4-2-3-8(5-9)10(15)6-18-7-11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 304.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103216985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).