3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene

C14H8F6S2 — CID 22369035

IUPAC3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene
SMILESCc1sc(-c2cccs2)cc1C1C(F)=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H8F6S2/c1-6-7(5-9(22-6)8-3-2-4-21-8)10-11(15)12(16)14(19,20)13(10,17)18/h2-5,10H,1H3
InChIKeyBWSLXFBSVPLMPH-UHFFFAOYSA-N
MW354.34 g/mol
LogP6.30
Rot. Bonds2

About 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene

3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene (PubChem CID 22369035) has the molecular formula C14H8F6S2 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene
PubChem CID22369035
Molecular FormulaC14H8F6S2
Molecular Weight354.34 g/mol
Exact Mass354.00
IUPAC Name3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene
SMILESCc1sc(-c2cccs2)cc1C1C(F)=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H8F6S2/c1-6-7(5-9(22-6)8-3-2-4-21-8)10-11(15)12(16)14(19,20)13(10,17)18/h2-5,10H,1H3
InChIKeyBWSLXFBSVPLMPH-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 56.30
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 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene?
The IUPAC name of 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene (CID 22369035) is 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene.
What is the SMILES notation for 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene?
The canonical SMILES for 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene is Cc1sc(-c2cccs2)cc1C1C(F)=C(F)C(F)(F)C1(F)F.
What is the InChIKey of 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene?
The InChIKey is BWSLXFBSVPLMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6S2/c1-6-7(5-9(22-6)8-3-2-4-21-8)10-11(15)12(16)14(19,20)13(10,17)18/h2-5,10H,1H3.
What are the key properties of 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene?
3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene has a molecular weight of 354.34 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4,5,5-hexafluorocyclopent-2-en-1-yl)-2-methyl-5-thiophen-2-ylthiophene is sourced from PubChem (CID 22369035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).