1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane

C4H5F5O2S2 — CID 139934245

IUPAC1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane
SMILESCCS(=O)(=O)SC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O2S2/c1-2-13(10,11)12-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyJCPDVSSNMDMDCX-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.22
Rot. Bonds3

About 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane

1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane (PubChem CID 139934245) has the molecular formula C4H5F5O2S2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane
PubChem CID139934245
Molecular FormulaC4H5F5O2S2
Molecular Weight244.21 g/mol
Exact Mass243.97
IUPAC Name1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane
SMILESCCS(=O)(=O)SC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O2S2/c1-2-13(10,11)12-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyJCPDVSSNMDMDCX-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Zinc(II) 2,2,2-trifluoroethane-1-sulfinate
CID 121237620
3,3-Difluorobutane-1-sulfonyl chloride
CID 84664403
2,2-Difluorobutane-1-sulfonyl chloride
CID 105446602
Dimethyl(methylthio) trifluoromethanesulfonate
CID 87517389
3,3,4,4,4-Pentafluorobutane-1-sulfonyl chloride
CID 55279085
3,3,4,4-Tetrafluorobutane-1-sulfonyl chloride
CID 137949872
3,3,4,4-Tetrafluoropentane-1-sulfonyl chloride
CID 165933089
Methyl 1h-tetrafluoroethanesulfonate
CID 129806117
S-(2,2,2-Trifluoroethyl) methanesulfonothioate
CID 556221
1,1,1-Trifluoro-2-methylsulfanylsulfonylethane
CID 2760708
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
Ethylsulfanyl trifluoromethanesulfonate
CID 12963239

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane (CID 139934245) is 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane is CCS(=O)(=O)SC(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane?
The InChIKey is JCPDVSSNMDMDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O2S2/c1-2-13(10,11)12-4(8,9)3(5,6)7/h2H2,1H3.
What are the key properties of 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane?
1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane has a molecular weight of 244.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 139934245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).