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

C4H6F4S2 — CID 87154559

IUPAC1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane
SMILESFCCSSCC(F)(F)F
InChIInChI=1S/C4H6F4S2/c5-1-2-9-10-3-4(6,7)8/h1-3H2
InChIKeyUPQAIBAATCKVEP-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.90
Rot. Bonds4

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

1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane (PubChem CID 87154559) has the molecular formula C4H6F4S2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane
PubChem CID87154559
Molecular FormulaC4H6F4S2
Molecular Weight194.22 g/mol
Exact Mass193.98
IUPAC Name1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane
SMILESFCCSSCC(F)(F)F
InChIInChI=1S/C4H6F4S2/c5-1-2-9-10-3-4(6,7)8/h1-3H2
InChIKeyUPQAIBAATCKVEP-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.90
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

Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
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
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
1,1,1,2,2-Pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
CID 87128375
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
CID 87128720
2-(Ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 87154393
1-(Ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane
CID 87154407
1,1,1,2,2,3,3,4,4-Nonafluoro-4-(2,2,2-trifluoroethyldisulfanyl)butane
CID 87154423
1,1,1,2,2,3,3-Heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
CID 87154450
1-(Ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane
CID 87154462

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane (CID 87154559) is 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane is FCCSSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane?
The InChIKey is UPQAIBAATCKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4S2/c5-1-2-9-10-3-4(6,7)8/h1-3H2.
What are the key properties of 1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane?
1,1,1-trifluoro-2-(2-fluoroethyldisulfanyl)ethane has a molecular weight of 194.22 g/mol, XLogP of 2.90, 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-2-(2-fluoroethyldisulfanyl)ethane is sourced from PubChem (CID 87154559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).