pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane

C6H3F5S2 — CID 58150618

IUPACpentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)C#Cc1ccsc1
InChIInChI=1S/C6H3F5S2/c7-13(8,9,10,11)4-2-6-1-3-12-5-6/h1,3,5H
InChIKeyWQBJGUDDIIFDQA-UHFFFAOYSA-N
MW234.21 g/mol
LogP4.36
Rot. Bonds

About pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane

pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane (PubChem CID 58150618) has the molecular formula C6H3F5S2 and a molecular weight of 234.21 g/mol. Its IUPAC name is pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane
PubChem CID58150618
Molecular FormulaC6H3F5S2
Molecular Weight234.21 g/mol
Exact Mass233.96
IUPAC Namepentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)C#Cc1ccsc1
InChIInChI=1S/C6H3F5S2/c7-13(8,9,10,11)4-2-6-1-3-12-5-6/h1,3,5H
InChIKeyWQBJGUDDIIFDQA-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane?
The IUPAC name of pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane (CID 58150618) is pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane?
The canonical SMILES for pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane is FS(F)(F)(F)(F)C#Cc1ccsc1.
What is the InChIKey of pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane?
The InChIKey is WQBJGUDDIIFDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5S2/c7-13(8,9,10,11)4-2-6-1-3-12-5-6/h1,3,5H.
What are the key properties of pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane?
pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane has a molecular weight of 234.21 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(2-thiophen-3-ylethynyl)-λ6-sulfane is sourced from PubChem (CID 58150618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).