4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol

C11H19F3OS — CID 116617345

IUPAC4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C11H19F3OS/c1-2-8-3-4-10(15)9(7-8)5-6-16-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyWQRNIGZEMUWHGH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.82
Rot. Bonds4

About 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol

4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (PubChem CID 116617345) has the molecular formula C11H19F3OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
PubChem CID116617345
Molecular FormulaC11H19F3OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C11H19F3OS/c1-2-8-3-4-10(15)9(7-8)5-6-16-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyWQRNIGZEMUWHGH-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]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 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (CID 116617345) is 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is CCC1CCC(O)C(CCSC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The InChIKey is WQRNIGZEMUWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OS/c1-2-8-3-4-10(15)9(7-8)5-6-16-11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol has a molecular weight of 256.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 116617345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).