1-(trifluoromethylsulfanyl)cyclohexene

C7H9F3S — CID 132520444

IUPAC1-(trifluoromethylsulfanyl)cyclohexene
SMILESFC(F)(F)SC1=CCCCC1
InChIInChI=1S/C7H9F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyBHVGEAAETZIEHJ-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.70
Rot. Bonds1

About 1-(trifluoromethylsulfanyl)cyclohexene

1-(trifluoromethylsulfanyl)cyclohexene (PubChem CID 132520444) has the molecular formula C7H9F3S and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)cyclohexene.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)cyclohexene
PubChem CID132520444
Molecular FormulaC7H9F3S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name1-(trifluoromethylsulfanyl)cyclohexene
SMILESFC(F)(F)SC1=CCCCC1
InChIInChI=1S/C7H9F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyBHVGEAAETZIEHJ-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanyl)cyclohexene?
The IUPAC name of 1-(trifluoromethylsulfanyl)cyclohexene (CID 132520444) is 1-(trifluoromethylsulfanyl)cyclohexene.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)cyclohexene?
The canonical SMILES for 1-(trifluoromethylsulfanyl)cyclohexene is FC(F)(F)SC1=CCCCC1.
What is the InChIKey of 1-(trifluoromethylsulfanyl)cyclohexene?
The InChIKey is BHVGEAAETZIEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-(trifluoromethylsulfanyl)cyclohexene?
1-(trifluoromethylsulfanyl)cyclohexene has a molecular weight of 182.21 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)cyclohexene is sourced from PubChem (CID 132520444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).