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

C9H15F3OS — CID 116617339

IUPAC2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESOC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C9H15F3OS/c10-9(11,12)14-6-5-7-3-1-2-4-8(7)13/h7-8,13H,1-6H2
InChIKeyOQHNHWVNJSUXTC-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.18
Rot. Bonds3

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

2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (PubChem CID 116617339) has the molecular formula C9H15F3OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
PubChem CID116617339
Molecular FormulaC9H15F3OS
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESOC1CCCCC1CCSC(F)(F)F
InChIInChI=1S/C9H15F3OS/c10-9(11,12)14-6-5-7-3-1-2-4-8(7)13/h7-8,13H,1-6H2
InChIKeyOQHNHWVNJSUXTC-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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

Related Compounds

trans-(1R,2R)-4,4-difluoro-2-(2-sulfanylpropyl)cyclohexan-1-ol
CID 138752546
2-(Methylthiomethyl)cyclohexan-1-ol
CID 126972050
2,2-Difluoro-3-(thian-3-yl)propan-1-ol
CID 105450113
1,1-Difluoro-1-(thian-3-yl)propan-2-ol
CID 105450117
3,3-Difluoro-4-(thian-3-yl)butan-2-ol
CID 105464340
1-Tert-butylsulfanyl-3-(3,3-difluorocyclohexyl)propan-2-ol
CID 114224697
1-(3,3-Difluorocyclohexyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 114224698
2-(3,3-Difluorocyclohexyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 114224720
1-(3,3-Difluorocyclopentyl)-3-(thian-4-yl)propan-2-ol
CID 114225887
7,7-Difluoro-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115019816
2-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
CID 116617331
2-[2-(Trifluoromethylsulfanyl)ethyl]cycloheptan-1-ol
CID 116617341

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (CID 116617339) is 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is OC1CCCCC1CCSC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The InChIKey is OQHNHWVNJSUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3OS/c10-9(11,12)14-6-5-7-3-1-2-4-8(7)13/h7-8,13H,1-6H2.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 116617339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).