3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene

C15H10F6O2S2 — CID 21044712

IUPAC3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene
SMILESCOc1sccc1C1=C(c2ccsc2OC)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H10F6O2S2/c1-22-11-7(3-5-24-11)9-10(8-4-6-25-12(8)23-2)14(18,19)15(20,21)13(9,16)17/h3-6H,1-2H3
InChIKeyOODVWDWVYYWWDW-UHFFFAOYSA-N
MW400.37 g/mol
LogP5.66
Rot. Bonds4

About 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene

3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene (PubChem CID 21044712) has the molecular formula C15H10F6O2S2 and a molecular weight of 400.37 g/mol. Its IUPAC name is 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene.

Molecular Properties

Compound Name3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene
PubChem CID21044712
Molecular FormulaC15H10F6O2S2
Molecular Weight400.37 g/mol
Exact Mass400.00
IUPAC Name3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene
SMILESCOc1sccc1C1=C(c2ccsc2OC)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H10F6O2S2/c1-22-11-7(3-5-24-11)9-10(8-4-6-25-12(8)23-2)14(18,19)15(20,21)13(9,16)17/h3-6H,1-2H3
InChIKeyOODVWDWVYYWWDW-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.37
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene?
The IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene (CID 21044712) is 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene.
What is the SMILES notation for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene?
The canonical SMILES for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene is COc1sccc1C1=C(c2ccsc2OC)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene?
The InChIKey is OODVWDWVYYWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O2S2/c1-22-11-7(3-5-24-11)9-10(8-4-6-25-12(8)23-2)14(18,19)15(20,21)13(9,16)17/h3-6H,1-2H3.
What are the key properties of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene?
3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene has a molecular weight of 400.37 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxythiophen-3-yl)cyclopenten-1-yl]-2-methoxythiophene is sourced from PubChem (CID 21044712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).