1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane

C6H10F4S2 — CID 154217378

IUPAC1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane
SMILESCCSC(F)(F)C(F)(F)SCC
InChIInChI=1S/C6H10F4S2/c1-3-11-5(7,8)6(9,10)12-4-2/h3-4H2,1-2H3
InChIKeyBDQPFPYDDZURST-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.68
Rot. Bonds5

About 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane

1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane (PubChem CID 154217378) has the molecular formula C6H10F4S2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane
PubChem CID154217378
Molecular FormulaC6H10F4S2
Molecular Weight222.27 g/mol
Exact Mass222.02
IUPAC Name1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane
SMILESCCSC(F)(F)C(F)(F)SCC
InChIInChI=1S/C6H10F4S2/c1-3-11-5(7,8)6(9,10)12-4-2/h3-4H2,1-2H3
InChIKeyBDQPFPYDDZURST-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-ethylsulfanyl-1,1-difluoroethane
CID 71365929
1-(2-ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 163198787
1-(1,1,2,2,2-pentafluoroethylsulfanyl)butane
CID 11506712
CID 174085838
CID 174085838
methyl 2-chloro-2-ethylsulfanyl-2-fluoroacetate
CID 10899378
1,1,1-triethoxy-2-(trifluoromethylsulfanyl)ethane
CID 12841108
trifluoromethoxysulfanylethane
CID 19353568
2-ethyl-2-ethylsulfanylbutan-1-ol
CID 130690226
1-ethylsulfanyl-2,2-difluorobutane
CID 91255236
2-ethylsulfanyl-2,2-difluoro-1-(4-fluorophenyl)ethanone
CID 10220288
N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine
CID 13125766
2-(2-ethylsulfanylpropan-2-yl)-1,1-dimethylhydrazine
CID 71424826

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane (CID 154217378) is 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane is CCSC(F)(F)C(F)(F)SCC.
What is the InChIKey of 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane?
The InChIKey is BDQPFPYDDZURST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4S2/c1-3-11-5(7,8)6(9,10)12-4-2/h3-4H2,1-2H3.
What are the key properties of 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane?
1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane has a molecular weight of 222.27 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 154217378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).