1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane

C6H6F8S2 — CID 88585021

IUPAC1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
SMILESFC(CC(F)(F)F)SSC(F)CC(F)(F)F
InChIInChI=1S/C6H6F8S2/c7-3(1-5(9,10)11)15-16-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyKJQYAOVBYNLDEN-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.86
Rot. Bonds5

About 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane

1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane (PubChem CID 88585021) has the molecular formula C6H6F8S2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
PubChem CID88585021
Molecular FormulaC6H6F8S2
Molecular Weight294.23 g/mol
Exact Mass293.98
IUPAC Name1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
SMILESFC(CC(F)(F)F)SSC(F)CC(F)(F)F
InChIInChI=1S/C6H6F8S2/c7-3(1-5(9,10)11)15-16-4(8)2-6(12,13)14/h3-4H,1-2H2
InChIKeyKJQYAOVBYNLDEN-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane?
The IUPAC name of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane (CID 88585021) is 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane?
The canonical SMILES for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane is FC(CC(F)(F)F)SSC(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane?
The InChIKey is KJQYAOVBYNLDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8S2/c7-3(1-5(9,10)11)15-16-4(8)2-6(12,13)14/h3-4H,1-2H2.
What are the key properties of 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane?
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane has a molecular weight of 294.23 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane is sourced from PubChem (CID 88585021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).