1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane

C6H8F6OS2 — CID 174859227

IUPAC1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane
SMILESFC(F)(F)CCSOSCCC(F)(F)F
InChIInChI=1S/C6H8F6OS2/c7-5(8,9)1-3-14-13-15-4-2-6(10,11)12/h1-4H2
InChIKeySCDGSUHIZFUKJZ-UHFFFAOYSA-N
MW274.25 g/mol
LogP4.20
Rot. Bonds6

About 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane

1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane (PubChem CID 174859227) has the molecular formula C6H8F6OS2 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane
PubChem CID174859227
Molecular FormulaC6H8F6OS2
Molecular Weight274.25 g/mol
Exact Mass273.99
IUPAC Name1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane
SMILESFC(F)(F)CCSOSCCC(F)(F)F
InChIInChI=1S/C6H8F6OS2/c7-5(8,9)1-3-14-13-15-4-2-6(10,11)12/h1-4H2
InChIKeySCDGSUHIZFUKJZ-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane?
The IUPAC name of 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane (CID 174859227) is 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane.
What is the SMILES notation for 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane?
The canonical SMILES for 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane is FC(F)(F)CCSOSCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane?
The InChIKey is SCDGSUHIZFUKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6OS2/c7-5(8,9)1-3-14-13-15-4-2-6(10,11)12/h1-4H2.
What are the key properties of 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane?
1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane has a molecular weight of 274.25 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane is sourced from PubChem (CID 174859227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).