[(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane

C9H13F5S — CID 134836220

IUPAC[(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/C=C1CCCCC1
InChIInChI=1S/C9H13F5S/c10-15(11,12,13,14)8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2/b8-4+
InChIKeyDEQYWZIATJTASK-XBXARRHUSA-N
MW248.26 g/mol
LogP5.69
Rot. Bonds2

About [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane

[(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane (PubChem CID 134836220) has the molecular formula C9H13F5S and a molecular weight of 248.26 g/mol. Its IUPAC name is [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane
PubChem CID134836220
Molecular FormulaC9H13F5S
Molecular Weight248.26 g/mol
Exact Mass248.07
IUPAC Name[(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/C=C1CCCCC1
InChIInChI=1S/C9H13F5S/c10-15(11,12,13,14)8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2/b8-4+
InChIKeyDEQYWZIATJTASK-XBXARRHUSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.26
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane (CID 134836220) is [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)/C=C/C=C1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane?
The InChIKey is DEQYWZIATJTASK-XBXARRHUSA-N. The full InChI is InChI=1S/C9H13F5S/c10-15(11,12,13,14)8-4-7-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2/b8-4+.
What are the key properties of [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane?
[(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane has a molecular weight of 248.26 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylideneprop-1-enyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 134836220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).