1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane

C10H13F11O4 — CID 88850835

IUPAC1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane
SMILESFC(F)(F)COCOCC(F)(F)F.FCCOCOC(F)(F)C(F)F
InChIInChI=1S/C5H6F6O2.C5H7F5O2/c6-4(7,8)1-12-3-13-2-5(9,10)11;6-1-2-11-3-12-5(9,10)4(7)8/h1-3H2;4H,1-3H2
InChIKeyPIBSPZKFLBDKGW-UHFFFAOYSA-N
MW406.19 g/mol
LogP3.91
Rot. Bonds10

About 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane

1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane (PubChem CID 88850835) has the molecular formula C10H13F11O4 and a molecular weight of 406.19 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane
PubChem CID88850835
Molecular FormulaC10H13F11O4
Molecular Weight406.19 g/mol
Exact Mass406.06
IUPAC Name1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane
SMILESFC(F)(F)COCOCC(F)(F)F.FCCOCOC(F)(F)C(F)F
InChIInChI=1S/C5H6F6O2.C5H7F5O2/c6-4(7,8)1-12-3-13-2-5(9,10)11;6-1-2-11-3-12-5(9,10)4(7)8/h1-3H2;4H,1-3H2
InChIKeyPIBSPZKFLBDKGW-UHFFFAOYSA-N
XLogP3.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-3-(2-fluoroethoxymethoxymethyl)penta-1,4-diene
CID 176949991
1,1,2,2-tetrafluoro-1-[1-(2-fluoroethoxy)-1-(2,2,2-trifluoroethoxy)ethoxy]ethane
CID 162232328
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
2,2,2-trifluoroethoxymethyl hypoiodite
CID 156529351
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
3-(1,1,2,2-tetrafluoroethoxymethyl)pentane
CID 139669688
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
(2R)-1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 97291102
1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
CID 171776185
2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
CID 86205974

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane (CID 88850835) is 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane is FC(F)(F)COCOCC(F)(F)F.FCCOCOC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane?
The InChIKey is PIBSPZKFLBDKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O2.C5H7F5O2/c6-4(7,8)1-12-3-13-2-5(9,10)11;6-1-2-11-3-12-5(9,10)4(7)8/h1-3H2;4H,1-3H2.
What are the key properties of 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane?
1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane has a molecular weight of 406.19 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-(2-fluoroethoxymethoxy)ethane;1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane is sourced from PubChem (CID 88850835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).