1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane

C6H10F4S2 — CID 87128296

IUPAC1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane
SMILESCCC(F)(F)SSC(F)(F)CC
InChIInChI=1S/C6H10F4S2/c1-3-5(7,8)11-12-6(9,10)4-2/h3-4H2,1-2H3
InChIKeyJEERUHFTTANJCX-UHFFFAOYSA-N
MW222.27 g/mol
LogP4.37
Rot. Bonds5

About 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane

1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane (PubChem CID 87128296) has the molecular formula C6H10F4S2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane.

Molecular Properties

Compound Name1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane
PubChem CID87128296
Molecular FormulaC6H10F4S2
Molecular Weight222.27 g/mol
Exact Mass222.02
IUPAC Name1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane
SMILESCCC(F)(F)SSC(F)(F)CC
InChIInChI=1S/C6H10F4S2/c1-3-5(7,8)11-12-6(9,10)4-2/h3-4H2,1-2H3
InChIKeyJEERUHFTTANJCX-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane with MolForge

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

Launch Full Analysis

Related Compounds

Trifluoromethyl t-butyl disulfide
CID 545896
Trifluoromethyl butyl disulfide
CID 546629
Trifluoromethyl S-butyl disulfide
CID 545343
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
1,1,1-Trifluoro-3-(4,4,4-trifluorobutan-2-yldisulfanyl)butane
CID 87128405
2-Fluoro-2-(2-fluoropropan-2-yldisulfanyl)propane
CID 87128476
1-(1,1-Difluoroethyldisulfanyl)-1,1-difluoroethane
CID 87128624
1,1,1,2,2-Pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-yldisulfanyl)butane
CID 87128669
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
CID 87128720
1,1,1-Trifluoro-2-(1,1,1-trifluorobutan-2-yldisulfanyl)butane
CID 87128734
1,1,1,3,3,3-Hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane
CID 87130001

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane?
The IUPAC name of 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane (CID 87128296) is 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane.
What is the SMILES notation for 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane?
The canonical SMILES for 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane is CCC(F)(F)SSC(F)(F)CC.
What is the InChIKey of 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane?
The InChIKey is JEERUHFTTANJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4S2/c1-3-5(7,8)11-12-6(9,10)4-2/h3-4H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane?
1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane has a molecular weight of 222.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyldisulfanyl)-1,1-difluoropropane is sourced from PubChem (CID 87128296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).