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

C9H15F5S — CID 102257372

IUPAC[(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/CC1CCCCC1
InChIInChI=1S/C9H15F5S/c10-15(11,12,13,14)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2/b8-4+
InChIKeyLTAIABORGHWFJH-XBXARRHUSA-N
MW250.28 g/mol
LogP5.77
Rot. Bonds3

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

[(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane (PubChem CID 102257372) has the molecular formula C9H15F5S and a molecular weight of 250.28 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane
PubChem CID102257372
Molecular FormulaC9H15F5S
Molecular Weight250.28 g/mol
Exact Mass250.08
IUPAC Name[(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)/C=C/CC1CCCCC1
InChIInChI=1S/C9H15F5S/c10-15(11,12,13,14)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2/b8-4+
InChIKeyLTAIABORGHWFJH-XBXARRHUSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.28
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane (CID 102257372) is [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)/C=C/CC1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane?
The InChIKey is LTAIABORGHWFJH-XBXARRHUSA-N. The full InChI is InChI=1S/C9H15F5S/c10-15(11,12,13,14)8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2/b8-4+.
What are the key properties of [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane?
[(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane has a molecular weight of 250.28 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylprop-1-enyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 102257372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).