1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane

C4H4F6OS2 — CID 174687993

IUPAC1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane
SMILESFC(F)(F)CSOSCC(F)(F)F
InChIInChI=1S/C4H4F6OS2/c5-3(6,7)1-12-11-13-2-4(8,9)10/h1-2H2
InChIKeyAMGAGKNFWDMYMW-UHFFFAOYSA-N
MW246.20 g/mol
LogP3.42
Rot. Bonds4

About 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane

1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane (PubChem CID 174687993) has the molecular formula C4H4F6OS2 and a molecular weight of 246.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane
PubChem CID174687993
Molecular FormulaC4H4F6OS2
Molecular Weight246.20 g/mol
Exact Mass245.96
IUPAC Name1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane
SMILESFC(F)(F)CSOSCC(F)(F)F
InChIInChI=1S/C4H4F6OS2/c5-3(6,7)1-12-11-13-2-4(8,9)10/h1-2H2
InChIKeyAMGAGKNFWDMYMW-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,2,2-Pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
CID 87128375
1-(Ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane
CID 87154462
1,1,1-Trifluoro-2-(2-fluoroethyldisulfanyl)ethane
CID 87154559
1,1,1,2,2-Pentafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
CID 87155238
1,1,1-Trifluoro-2-(1-fluoroethyldisulfanyl)ethane
CID 87155274
1,1,1-Trifluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
CID 87156126
2-(2,2-Difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane
CID 87931297
1,1,1,3-Tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021
1,1,2-Trifluoro-2-(1,2,2-trifluoroethylsulfanyloxysulfanyl)ethane
CID 117994151
CID 158036504
CID 158036504
1-Fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane
CID 174571477

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane (CID 174687993) is 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane is FC(F)(F)CSOSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane?
The InChIKey is AMGAGKNFWDMYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6OS2/c5-3(6,7)1-12-11-13-2-4(8,9)10/h1-2H2.
What are the key properties of 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane?
1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane has a molecular weight of 246.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane is sourced from PubChem (CID 174687993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).