1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane

C11H6F16O3 — CID 175997126

IUPAC1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane
SMILESCCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C11H6F16O3/c1-2-28-6(16,17)5(15)30-11(26,27)9(22,23)7(18,19)8(20,21)10(24,25)29-4(14)3(12)13/h5H,2H2,1H3
InChIKeyBDCQYGCJQHZLEK-UHFFFAOYSA-N
MW490.13 g/mol
LogP6.07
Rot. Bonds11

About 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane

1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane (PubChem CID 175997126) has the molecular formula C11H6F16O3 and a molecular weight of 490.13 g/mol. Its IUPAC name is 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane.

Molecular Properties

Compound Name1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane
PubChem CID175997126
Molecular FormulaC11H6F16O3
Molecular Weight490.13 g/mol
Exact Mass490.01
IUPAC Name1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane
SMILESCCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C11H6F16O3/c1-2-28-6(16,17)5(15)30-11(26,27)9(22,23)7(18,19)8(20,21)10(24,25)29-4(14)3(12)13/h5H,2H2,1H3
InChIKeyBDCQYGCJQHZLEK-UHFFFAOYSA-N
XLogP6.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.13
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)-6-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]hexane
CID 175997125
dipotassium;hydride;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecane-1,12-diol;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-[1,1,2-trifluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,2,2-trifluoro-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-hydroxydodecoxy)ethoxy]butoxy]ethoxy]dodecan-1-ol;1,1,2,2,3,3,4,4-octafluoro-1,4-bis(1,2,2-trifluoroethenoxy)butane;oxido formate
CID 159729846
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
2,2,3,3,4,4,5,5,6,6-decafluoro-N-methyl-6-(1,2,2-trifluoroethenoxy)hexanamide
CID 175997151
1,4-bis(sulfanyl)butane-2,3-diol;1,4-bis[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanyl]butane-2,3-diol;1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane
CID 157475648
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoyl fluoride
CID 100950644
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
methyl 2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoate
CID 11058590
1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
CID 6365941
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane-1-sulfonyl fluoride
CID 175997144

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
The IUPAC name of 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane (CID 175997126) is 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane.
What is the SMILES notation for 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
The canonical SMILES for 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane is CCOC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
The InChIKey is BDCQYGCJQHZLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16O3/c1-2-28-6(16,17)5(15)30-11(26,27)9(22,23)7(18,19)8(20,21)10(24,25)29-4(14)3(12)13/h5H,2H2,1H3.
What are the key properties of 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane has a molecular weight of 490.13 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane is sourced from PubChem (CID 175997126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).