2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene

C13H6F6S2 — CID 91581181

IUPAC2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene
SMILESFC1=C(F)C(c2cccs2)(c2cccs2)C(F)(F)C1(F)F
InChIInChI=1S/C13H6F6S2/c14-9-10(15)12(16,17)13(18,19)11(9,7-3-1-5-20-7)8-4-2-6-21-8/h1-6H
InChIKeyODLAKZPPCZHQTB-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.53
Rot. Bonds2

About 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene

2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene (PubChem CID 91581181) has the molecular formula C13H6F6S2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene.

Molecular Properties

Compound Name2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene
PubChem CID91581181
Molecular FormulaC13H6F6S2
Molecular Weight340.31 g/mol
Exact Mass339.98
IUPAC Name2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene
SMILESFC1=C(F)C(c2cccs2)(c2cccs2)C(F)(F)C1(F)F
InChIInChI=1S/C13H6F6S2/c14-9-10(15)12(16,17)13(18,19)11(9,7-3-1-5-20-7)8-4-2-6-21-8/h1-6H
InChIKeyODLAKZPPCZHQTB-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene?
The IUPAC name of 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene (CID 91581181) is 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene.
What is the SMILES notation for 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene?
The canonical SMILES for 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene is FC1=C(F)C(c2cccs2)(c2cccs2)C(F)(F)C1(F)F.
What is the InChIKey of 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene?
The InChIKey is ODLAKZPPCZHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6S2/c14-9-10(15)12(16,17)13(18,19)11(9,7-3-1-5-20-7)8-4-2-6-21-8/h1-6H.
What are the key properties of 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene?
2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene has a molecular weight of 340.31 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4,5,5-hexafluoro-1-thiophen-2-ylcyclopent-2-en-1-yl)thiophene is sourced from PubChem (CID 91581181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).