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

C4H4F6S2 — CID 15036106

IUPAC1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane
SMILESFC(F)(F)CSSCC(F)(F)F
InChIInChI=1S/C4H4F6S2/c5-3(6,7)1-11-12-2-4(8,9)10/h1-2H2
InChIKeyPYZZTBGZBHXFIT-UHFFFAOYSA-N
MW230.20 g/mol
LogP3.49
Rot. Bonds3

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

1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane (PubChem CID 15036106) has the molecular formula C4H4F6S2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane
PubChem CID15036106
Molecular FormulaC4H4F6S2
Molecular Weight230.20 g/mol
Exact Mass229.97
IUPAC Name1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane
SMILESFC(F)(F)CSSCC(F)(F)F
InChIInChI=1S/C4H4F6S2/c5-3(6,7)1-11-12-2-4(8,9)10/h1-2H2
InChIKeyPYZZTBGZBHXFIT-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane (CID 15036106) is 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane is FC(F)(F)CSSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane?
The InChIKey is PYZZTBGZBHXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6S2/c5-3(6,7)1-11-12-2-4(8,9)10/h1-2H2.
What are the key properties of 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane?
1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane has a molecular weight of 230.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2,2,2-trifluoroethyldisulfanyl)ethane is sourced from PubChem (CID 15036106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).