(E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene

C8H11F5S — CID 87187685

IUPAC(E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene
SMILESCC/C(=C\CSC)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5S/c1-3-6(4-5-14-2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3/b6-4+
InChIKeyOJDLTZYUBVCGSN-GQCTYLIASA-N
MW234.23 g/mol
LogP3.88
Rot. Bonds4

About (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene

(E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene (PubChem CID 87187685) has the molecular formula C8H11F5S and a molecular weight of 234.23 g/mol. Its IUPAC name is (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene
PubChem CID87187685
Molecular FormulaC8H11F5S
Molecular Weight234.23 g/mol
Exact Mass234.05
IUPAC Name(E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene
SMILESCC/C(=C\CSC)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5S/c1-3-6(4-5-14-2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3/b6-4+
InChIKeyOJDLTZYUBVCGSN-GQCTYLIASA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene?
The IUPAC name of (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene (CID 87187685) is (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene.
What is the SMILES notation for (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene?
The canonical SMILES for (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene is CC/C(=C\CSC)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene?
The InChIKey is OJDLTZYUBVCGSN-GQCTYLIASA-N. The full InChI is InChI=1S/C8H11F5S/c1-3-6(4-5-14-2)7(9,10)8(11,12)13/h4H,3,5H2,1-2H3/b6-4+.
What are the key properties of (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene?
(E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene has a molecular weight of 234.23 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-4,4,5,5,5-pentafluoro-1-methylsulfanylpent-2-ene is sourced from PubChem (CID 87187685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).