3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

C8H5F11S — CID 12828103

IUPAC3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCCSC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11S/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2H2,1H3
InChIKeyOINRDCXWAHXUAJ-UHFFFAOYSA-N
MW342.17 g/mol
LogP5.32
Rot. Bonds3

About 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene

3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (PubChem CID 12828103) has the molecular formula C8H5F11S and a molecular weight of 342.17 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
PubChem CID12828103
Molecular FormulaC8H5F11S
Molecular Weight342.17 g/mol
Exact Mass341.99
IUPAC Name3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCCSC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F11S/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2H2,1H3
InChIKeyOINRDCXWAHXUAJ-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.17
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene (CID 12828103) is 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is CCSC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
The InChIKey is OINRDCXWAHXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11S/c1-2-20-4(5(9,10)8(17,18)19)3(6(11,12)13)7(14,15)16/h2H2,1H3.
What are the key properties of 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene?
3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene has a molecular weight of 342.17 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12828103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).