2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane

C4H7F3OS2 — CID 134572213

IUPAC2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane
SMILESCC(OCC(F)(F)F)SS
InChIInChI=1S/C4H7F3OS2/c1-3(10-9)8-2-4(5,6)7/h3,9H,2H2,1H3
InChIKeyFXDLMDZGFFAPPS-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.49
Rot. Bonds3

About 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane

2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane (PubChem CID 134572213) has the molecular formula C4H7F3OS2 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane
PubChem CID134572213
Molecular FormulaC4H7F3OS2
Molecular Weight192.23 g/mol
Exact Mass191.99
IUPAC Name2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane
SMILESCC(OCC(F)(F)F)SS
InChIInChI=1S/C4H7F3OS2/c1-3(10-9)8-2-4(5,6)7/h3,9H,2H2,1H3
InChIKeyFXDLMDZGFFAPPS-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
CID 87508044
lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate
CID 175980012
2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
CID 19828970
2-[1-(disulfanyl)ethoxy]propane
CID 154990409
lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate
CID 175980024
2,2,2-trifluoroethoxymethanediolate
CID 149435105
3-(2,2,2-trifluoroethoxy)butanenitrile
CID 114995231
3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
CID 121371563
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
amino(2,2,2-trifluoroethoxy)methanol
CID 91264167
2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
CID 144715413

Frequently Asked Questions

What is the IUPAC name of 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane (CID 134572213) is 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane is CC(OCC(F)(F)F)SS.
What is the InChIKey of 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane?
The InChIKey is FXDLMDZGFFAPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS2/c1-3(10-9)8-2-4(5,6)7/h3,9H,2H2,1H3.
What are the key properties of 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane?
2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane has a molecular weight of 192.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(disulfanyl)ethoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 134572213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).