1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane

C5H6F6S2 — CID 87156126

IUPAC1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
SMILESFC(F)(F)CCSSCC(F)(F)F
InChIInChI=1S/C5H6F6S2/c6-4(7,8)1-2-12-13-3-5(9,10)11/h1-3H2
InChIKeyGZOQDQDWGBKGTF-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.88
Rot. Bonds4

About 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane

1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane (PubChem CID 87156126) has the molecular formula C5H6F6S2 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
PubChem CID87156126
Molecular FormulaC5H6F6S2
Molecular Weight244.22 g/mol
Exact Mass243.98
IUPAC Name1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
SMILESFC(F)(F)CCSSCC(F)(F)F
InChIInChI=1S/C5H6F6S2/c6-4(7,8)1-2-12-13-3-5(9,10)11/h1-3H2
InChIKeyGZOQDQDWGBKGTF-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,4-Pentafluorobutane-1-thiol
CID 109606
Trifluoromethyl butyl disulfide
CID 546629
Trifluoromethyl n-propyl disulfide
CID 550486
4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
1,1,1,4,4,4-Hexafluoro-3-sulfanylbutane-2-thione
CID 91568617
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
3,3,4,4,4-Pentafluorobutane-2-thiol
CID 57032580

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
The IUPAC name of 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane (CID 87156126) is 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane.
What is the SMILES notation for 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
The canonical SMILES for 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane is FC(F)(F)CCSSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
The InChIKey is GZOQDQDWGBKGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6S2/c6-4(7,8)1-2-12-13-3-5(9,10)11/h1-3H2.
What are the key properties of 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane has a molecular weight of 244.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane is sourced from PubChem (CID 87156126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).