[(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane

C8H11F5S — CID 102257377

IUPAC[(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/C1=CCCCC1
InChIInChI=1S/C8H11F5S/c9-14(10,11,12,13)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2/b7-6+
InChIKeyVXKZMCDKTGHPFP-VOTSOKGWSA-N
MW234.23 g/mol
LogP5.30
Rot. Bonds2

About [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane

[(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane (PubChem CID 102257377) has the molecular formula C8H11F5S and a molecular weight of 234.23 g/mol. Its IUPAC name is [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane
PubChem CID102257377
Molecular FormulaC8H11F5S
Molecular Weight234.23 g/mol
Exact Mass234.05
IUPAC Name[(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/C1=CCCCC1
InChIInChI=1S/C8H11F5S/c9-14(10,11,12,13)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2/b7-6+
InChIKeyVXKZMCDKTGHPFP-VOTSOKGWSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.23
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane (CID 102257377) is [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)/C=C/C1=CCCCC1.
What is the InChIKey of [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane?
The InChIKey is VXKZMCDKTGHPFP-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H11F5S/c9-14(10,11,12,13)7-6-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2/b7-6+.
What are the key properties of [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane?
[(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane has a molecular weight of 234.23 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(cyclohexen-1-yl)ethenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 102257377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).