1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane

C4H5F5S2 — CID 87155187

IUPAC1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane
SMILESCSSCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5S2/c1-10-11-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKeyIBODNDLUTQURMT-UHFFFAOYSA-N
MW212.21 g/mol
LogP3.20
Rot. Bonds3

About 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane

1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane (PubChem CID 87155187) has the molecular formula C4H5F5S2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane
PubChem CID87155187
Molecular FormulaC4H5F5S2
Molecular Weight212.21 g/mol
Exact Mass211.98
IUPAC Name1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane
SMILESCSSCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5S2/c1-10-11-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKeyIBODNDLUTQURMT-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane 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

3,3,4,4,4-Pentafluorobutane-1-thiol
CID 109606
Trifluoromethyl butyl disulfide
CID 546629
Trifluoromethyl n-propyl disulfide
CID 550486
Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
2-Fluoro-1-(2-fluoropropyldisulfanyl)propane
CID 13459592
1-Fluoro-2-(trifluoromethylsulfanyl)propane
CID 13708908
Trifluoromethyl S-butyl disulfide
CID 545343
Trifluoromethyl isopropyl disulfide
CID 550487
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane
CID 14665818
1,1,1,3,3,3-Hexafluoro-2-methylsulfanylpropane
CID 15655246

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane (CID 87155187) is 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane is CSSCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane?
The InChIKey is IBODNDLUTQURMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5S2/c1-10-11-2-3(5,6)4(7,8)9/h2H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane?
1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane has a molecular weight of 212.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-(methyldisulfanyl)propane is sourced from PubChem (CID 87155187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).