1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane

C4H5F5S2 — CID 87154462

IUPAC1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane
SMILESCCSSC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5S2/c1-2-10-11-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyLUPVWQXCHKYYGO-UHFFFAOYSA-N
MW212.21 g/mol
LogP3.54
Rot. Bonds3

About 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane

1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane (PubChem CID 87154462) has the molecular formula C4H5F5S2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane
PubChem CID87154462
Molecular FormulaC4H5F5S2
Molecular Weight212.21 g/mol
Exact Mass211.98
IUPAC Name1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane
SMILESCCSSC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5S2/c1-2-10-11-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyLUPVWQXCHKYYGO-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl trifluoromethyl disulfide
CID 595492
Trifluoromethyl butyl disulfide
CID 546629
Trifluoromethyl n-propyl disulfide
CID 550486
Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
Ethyl trifluoromethyl trisulfide
CID 533716
Trifluoromethyl S-butyl disulfide
CID 545343
Trifluoromethyl isopropyl disulfide
CID 550487
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
3,3,4,4,4-Pentafluorobutane-2-thiol
CID 57032580
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
1,1,1,2,2-Pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
CID 87128375

Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane (CID 87154462) is 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane is CCSSC(F)(F)C(F)(F)F.
What is the InChIKey of 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane?
The InChIKey is LUPVWQXCHKYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5S2/c1-2-10-11-4(8,9)3(5,6)7/h2H2,1H3.
What are the key properties of 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane?
1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane has a molecular weight of 212.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 87154462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).