2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane

C10H9F13O3 — CID 156627224

IUPAC2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane
SMILESCCOCC(F)(OC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F13O3/c1-2-24-3-5(11,8(15,16)17)26-7(9(18,19)20,10(21,22)23)25-4-6(12,13)14/h2-4H2,1H3
InChIKeyZKJXZELGJCOINK-UHFFFAOYSA-N
MW424.15 g/mol
LogP4.67
Rot. Bonds7

About 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane

2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane (PubChem CID 156627224) has the molecular formula C10H9F13O3 and a molecular weight of 424.15 g/mol. Its IUPAC name is 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane
PubChem CID156627224
Molecular FormulaC10H9F13O3
Molecular Weight424.15 g/mol
Exact Mass424.03
IUPAC Name2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane
SMILESCCOCC(F)(OC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F13O3/c1-2-24-3-5(11,8(15,16)17)26-7(9(18,19)20,10(21,22)23)25-4-6(12,13)14/h2-4H2,1H3
InChIKeyZKJXZELGJCOINK-UHFFFAOYSA-N
XLogP4.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.15
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-dimethylsilylphenyl)-trimethylsilane;2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane
CID 160523779
3-ethoxy-1,1,1,2-tetrafluoro-2-methoxypropane
CID 58859573
1,1,1,2,2,4,4,5,5,5-decafluoro-3,3-bis(2,2,2-trifluoroethoxy)pentane
CID 10072322
2,2-bis(2,2,2-trifluoroethoxy)propane
CID 18927635
fluoromethane;methane;1,1,1,2,3-pentafluoro-2-(2,2,2-trifluoroethoxy)propane;tetrafluoromethane
CID 161210390
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 2775955
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203788
2-(3-ethoxy-2,2-difluoropropoxy)-2-methylpropane
CID 88944540
1,1,1-triethoxy-3-(2,2,2-trifluoroethoxy)propane
CID 103150210
5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 19761973
3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 126575026

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane (CID 156627224) is 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane is CCOCC(F)(OC(OCC(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane?
The InChIKey is ZKJXZELGJCOINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13O3/c1-2-24-3-5(11,8(15,16)17)26-7(9(18,19)20,10(21,22)23)25-4-6(12,13)14/h2-4H2,1H3.
What are the key properties of 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane?
2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane has a molecular weight of 424.15 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1,1,1,2-tetrafluoropropan-2-yl)oxy-1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 156627224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).