[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane

C9H13F3S — CID 102346461

IUPAC[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
SMILESFC(F)(F)S/C=C/C1CCCCC1
InChIInChI=1S/C9H13F3S/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+
InChIKeyPGNQYARIQXQLHH-VOTSOKGWSA-N
MW210.26 g/mol
LogP4.33
Rot. Bonds2

About [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane

[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane (PubChem CID 102346461) has the molecular formula C9H13F3S and a molecular weight of 210.26 g/mol. Its IUPAC name is [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
PubChem CID102346461
Molecular FormulaC9H13F3S
Molecular Weight210.26 g/mol
Exact Mass210.07
IUPAC Name[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
SMILESFC(F)(F)S/C=C/C1CCCCC1
InChIInChI=1S/C9H13F3S/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+
InChIKeyPGNQYARIQXQLHH-VOTSOKGWSA-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

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Related Compounds

1-(Trifluoromethylsulfanyl)ethenylcyclohexane
CID 162411757
[(Z)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane
CID 166441032
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
[(E)-3-cyclohexylprop-1-enyl]-pentafluoro-lambda6-sulfane
CID 102257372
1-Fluoro-2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]hex-5-ene-1-thiol
CID 87159196
(E)-5,5,5-trifluoro-1-methylsulfanyl-3-propan-2-ylpent-1-ene
CID 172295577
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
[(E)-2-cyclohexylethenyl]-pentafluoro-lambda6-sulfane
CID 102257368
3-(Trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
CID 125475426
2-Methylsulfanylethenylcyclohexane
CID 134874014

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane?
The IUPAC name of [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane (CID 102346461) is [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane?
The canonical SMILES for [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane is FC(F)(F)S/C=C/C1CCCCC1.
What is the InChIKey of [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane?
The InChIKey is PGNQYARIQXQLHH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H13F3S/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h6-8H,1-5H2/b7-6+.
What are the key properties of [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane?
[(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane 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 [(E)-2-(trifluoromethylsulfanyl)ethenyl]cyclohexane is sourced from PubChem (CID 102346461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).