4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene

C8H4F6S — CID 88911679

IUPAC4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene
SMILESCc1scc2c1C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C8H4F6S/c1-3-5-4(2-15-3)6(9,10)8(13,14)7(5,11)12/h2H,1H3
InChIKeyUMHMNRCLYFPSAR-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.89
Rot. Bonds

About 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene

4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene (PubChem CID 88911679) has the molecular formula C8H4F6S and a molecular weight of 246.17 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene
PubChem CID88911679
Molecular FormulaC8H4F6S
Molecular Weight246.17 g/mol
Exact Mass245.99
IUPAC Name4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene
SMILESCc1scc2c1C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C8H4F6S/c1-3-5-4(2-15-3)6(9,10)8(13,14)7(5,11)12/h2H,1H3
InChIKeyUMHMNRCLYFPSAR-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene (CID 88911679) is 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene is Cc1scc2c1C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene?
The InChIKey is UMHMNRCLYFPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6S/c1-3-5-4(2-15-3)6(9,10)8(13,14)7(5,11)12/h2H,1H3.
What are the key properties of 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene?
4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene has a molecular weight of 246.17 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-3-methylcyclopenta[c]thiophene is sourced from PubChem (CID 88911679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).