1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol

C12H21F3O3S — CID 65153756

IUPAC1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3O3S/c1-2-19(17,18)8-4-7-11(16)6-3-5-10(9-11)12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyMKHQXSAGLSIUFR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65153756) has the molecular formula C12H21F3O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65153756
Molecular FormulaC12H21F3O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC Name1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCS(=O)(=O)CCCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3O3S/c1-2-19(17,18)8-4-7-11(16)6-3-5-10(9-11)12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyMKHQXSAGLSIUFR-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 65153756) is 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol is CCS(=O)(=O)CCCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is MKHQXSAGLSIUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O3S/c1-2-19(17,18)8-4-7-11(16)6-3-5-10(9-11)12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 302.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65153756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).