2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene

C13H4F8S2 — CID 11222609

IUPAC2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene
SMILESFc1sccc1C1=C(c2ccsc2F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H4F8S2/c14-9-5(1-3-22-9)7-8(6-2-4-23-10(6)15)12(18,19)13(20,21)11(7,16)17/h1-4H
InChIKeyCVCSXLROYKSXFX-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.92
Rot. Bonds2

About 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene

2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene (PubChem CID 11222609) has the molecular formula C13H4F8S2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene.

Molecular Properties

Compound Name2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene
PubChem CID11222609
Molecular FormulaC13H4F8S2
Molecular Weight376.29 g/mol
Exact Mass375.96
IUPAC Name2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene
SMILESFc1sccc1C1=C(c2ccsc2F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H4F8S2/c14-9-5(1-3-22-9)7-8(6-2-4-23-10(6)15)12(18,19)13(20,21)11(7,16)17/h1-4H
InChIKeyCVCSXLROYKSXFX-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.92
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-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene?
The IUPAC name of 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene (CID 11222609) is 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene.
What is the SMILES notation for 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene?
The canonical SMILES for 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene is Fc1sccc1C1=C(c2ccsc2F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene?
The InChIKey is CVCSXLROYKSXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F8S2/c14-9-5(1-3-22-9)7-8(6-2-4-23-10(6)15)12(18,19)13(20,21)11(7,16)17/h1-4H.
What are the key properties of 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene?
2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene has a molecular weight of 376.29 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[3,3,4,4,5,5-hexafluoro-2-(2-fluorothiophen-3-yl)cyclopenten-1-yl]thiophene is sourced from PubChem (CID 11222609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).