trifluoromethylsulfanylcyclohexane

C7H11F3S — CID 11745295

IUPACtrifluoromethylsulfanylcyclohexane
SMILESFC(F)(F)SC1CCCCC1
InChIInChI=1S/C7H11F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyAEFHBFIZLVTILS-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.57
Rot. Bonds1

About trifluoromethylsulfanylcyclohexane

trifluoromethylsulfanylcyclohexane (PubChem CID 11745295) has the molecular formula C7H11F3S and a molecular weight of 184.23 g/mol. Its IUPAC name is trifluoromethylsulfanylcyclohexane.

Molecular Properties

Compound Nametrifluoromethylsulfanylcyclohexane
PubChem CID11745295
Molecular FormulaC7H11F3S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Nametrifluoromethylsulfanylcyclohexane
SMILESFC(F)(F)SC1CCCCC1
InChIInChI=1S/C7H11F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyAEFHBFIZLVTILS-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trifluoromethylsulfanylcyclohexane 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

(1R,2R)-1-Fluoro-2-methylsulfanylcyclohexane
CID 14113327
Difluoromethylsulfanylcyclohexane
CID 130877413
Hexyl(trifluoromethyl) sulfide
CID 21730948
1,1-Difluoroethylsulfanylcyclohexane
CID 135080428
trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane
CID 15939465
1-Fluoro-2-methylsulfanylcyclohexane
CID 14113326
1-Fluoro-4-methylsulfanylcyclohexane
CID 42608931
2-(Trifluoromethylsulfanyl)hexane
CID 53848232
1-Fluoro-3-methylsulfanylcyclohexane
CID 66796079
1-Fluoro-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796091
1-Fluoro-2-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796124
1-Fluoro-4-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 66796163

Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfanylcyclohexane?
The IUPAC name of trifluoromethylsulfanylcyclohexane (CID 11745295) is trifluoromethylsulfanylcyclohexane.
What is the SMILES notation for trifluoromethylsulfanylcyclohexane?
The canonical SMILES for trifluoromethylsulfanylcyclohexane is FC(F)(F)SC1CCCCC1.
What is the InChIKey of trifluoromethylsulfanylcyclohexane?
The InChIKey is AEFHBFIZLVTILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of trifluoromethylsulfanylcyclohexane?
trifluoromethylsulfanylcyclohexane has a molecular weight of 184.23 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfanylcyclohexane is sourced from PubChem (CID 11745295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).