1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane

C5F12O2 — CID 166791480

IUPAC1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12O2/c6-1(7,8)3(12,13)18-4(14,2(9,10)11)19-5(15,16)17
InChIKeyKDBCXYUPZCSTDX-UHFFFAOYSA-N
MW320.03 g/mol
LogP3.88
Rot. Bonds3

About 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane

1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane (PubChem CID 166791480) has the molecular formula C5F12O2 and a molecular weight of 320.03 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane
PubChem CID166791480
Molecular FormulaC5F12O2
Molecular Weight320.03 g/mol
Exact Mass319.97
IUPAC Name1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5F12O2/c6-1(7,8)3(12,13)18-4(14,2(9,10)11)19-5(15,16)17
InChIKeyKDBCXYUPZCSTDX-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[[[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2,2-pentafluoroethane
CID 175196171
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butane
CID 11325674
1,1,1-trifluoro-2,2,2-tris(trifluoromethoxy)ethane
CID 140581421
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethanol
CID 87104416
1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate
CID 163408249
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169
[1,2,2,2-tetrafluoro-1-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2,2-tetrafluoro-1-(hydroxymethoxy)ethoxy]butoxy]ethoxy]methanol
CID 18000075
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 12829603
1,1,1,2,2-pentafluoro-2-(1,1,2,2,2-pentafluoroethoxyperoxy)ethane
CID 141163022
1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
CID 155982269

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane (CID 166791480) is 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane is FC(F)(F)OC(F)(OC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane?
The InChIKey is KDBCXYUPZCSTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12O2/c6-1(7,8)3(12,13)18-4(14,2(9,10)11)19-5(15,16)17.
What are the key properties of 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane?
1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane has a molecular weight of 320.03 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 166791480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).