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

C4H6F4S2 — CID 87155274

IUPAC1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane
SMILESCC(F)SSCC(F)(F)F
InChIInChI=1S/C4H6F4S2/c1-3(5)10-9-2-4(6,7)8/h3H,2H2,1H3
InChIKeyOUWFDRUXJBYFTM-UHFFFAOYSA-N
MW194.22 g/mol
LogP3.25
Rot. Bonds3

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

1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane (PubChem CID 87155274) has the molecular formula C4H6F4S2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane
PubChem CID87155274
Molecular FormulaC4H6F4S2
Molecular Weight194.22 g/mol
Exact Mass193.98
IUPAC Name1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane
SMILESCC(F)SSCC(F)(F)F
InChIInChI=1S/C4H6F4S2/c1-3(5)10-9-2-4(6,7)8/h3H,2H2,1H3
InChIKeyOUWFDRUXJBYFTM-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane (CID 87155274) is 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane is CC(F)SSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane?
The InChIKey is OUWFDRUXJBYFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4S2/c1-3(5)10-9-2-4(6,7)8/h3H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane?
1,1,1-trifluoro-2-(1-fluoroethyldisulfanyl)ethane has a molecular weight of 194.22 g/mol, XLogP of 3.25, 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-(1-fluoroethyldisulfanyl)ethane is sourced from PubChem (CID 87155274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).