1-(trifluoromethylsulfanyl)ethenylcyclohexane

C9H13F3S — CID 162411757

IUPAC1-(trifluoromethylsulfanyl)ethenylcyclohexane
SMILESC=C(SC(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H13F3S/c1-7(13-9(10,11)12)8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyZZYKWOKJTAJQLW-UHFFFAOYSA-N
MW210.26 g/mol
LogP4.33
Rot. Bonds2

About 1-(trifluoromethylsulfanyl)ethenylcyclohexane

1-(trifluoromethylsulfanyl)ethenylcyclohexane (PubChem CID 162411757) has the molecular formula C9H13F3S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)ethenylcyclohexane.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)ethenylcyclohexane
PubChem CID162411757
Molecular FormulaC9H13F3S
Molecular Weight210.26 g/mol
Exact Mass210.07
IUPAC Name1-(trifluoromethylsulfanyl)ethenylcyclohexane
SMILESC=C(SC(F)(F)F)C1CCCCC1
InChIInChI=1S/C9H13F3S/c1-7(13-9(10,11)12)8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyZZYKWOKJTAJQLW-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(trifluoromethylsulfanyl)ethenylcyclohexane 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

[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
CID 102346461
[(Z)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
CID 166441032
[2,2-Difluoro-3-(trifluoromethylsulfanyl)but-3-enyl]cyclohexane
CID 166441106
4-Methylidene-1-methylsulfanyl-2-(trifluoromethyl)cyclohexane
CID 90922567
1-Methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
CID 146817721
3-(Trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
CID 125475426

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanyl)ethenylcyclohexane?
The IUPAC name of 1-(trifluoromethylsulfanyl)ethenylcyclohexane (CID 162411757) is 1-(trifluoromethylsulfanyl)ethenylcyclohexane.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)ethenylcyclohexane?
The canonical SMILES for 1-(trifluoromethylsulfanyl)ethenylcyclohexane is C=C(SC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-(trifluoromethylsulfanyl)ethenylcyclohexane?
The InChIKey is ZZYKWOKJTAJQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3S/c1-7(13-9(10,11)12)8-5-3-2-4-6-8/h8H,1-6H2.
What are the key properties of 1-(trifluoromethylsulfanyl)ethenylcyclohexane?
1-(trifluoromethylsulfanyl)ethenylcyclohexane has a molecular weight of 210.26 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)ethenylcyclohexane is sourced from PubChem (CID 162411757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).