2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene

C13H4Cl2F6S2 — CID 11373199

IUPAC2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene
SMILESFC1(F)C(c2ccsc2Cl)=C(c2ccsc2Cl)C(F)(F)C1(F)F
InChIInChI=1S/C13H4Cl2F6S2/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
InChIKeyYGEWHAAQFXPIQX-UHFFFAOYSA-N
MW409.20 g/mol
LogP6.95
Rot. Bonds2

About 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene

2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene (PubChem CID 11373199) has the molecular formula C13H4Cl2F6S2 and a molecular weight of 409.20 g/mol. Its IUPAC name is 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene.

Molecular Properties

Compound Name2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene
PubChem CID11373199
Molecular FormulaC13H4Cl2F6S2
Molecular Weight409.20 g/mol
Exact Mass407.90
IUPAC Name2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene
SMILESFC1(F)C(c2ccsc2Cl)=C(c2ccsc2Cl)C(F)(F)C1(F)F
InChIInChI=1S/C13H4Cl2F6S2/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
InChIKeyYGEWHAAQFXPIQX-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.20
LogP ≤ 56.95
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-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene?
The IUPAC name of 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene (CID 11373199) is 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene.
What is the SMILES notation for 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene?
The canonical SMILES for 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene is FC1(F)C(c2ccsc2Cl)=C(c2ccsc2Cl)C(F)(F)C1(F)F.
What is the InChIKey of 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene?
The InChIKey is YGEWHAAQFXPIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl2F6S2/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-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene?
2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene has a molecular weight of 409.20 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(2-chlorothiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]thiophene is sourced from PubChem (CID 11373199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).