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

C12H3F21O3 — CID 175997125

IUPAC1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)-6-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]hexane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)C(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H3F21O3/c13-2(14)3(15)35-11(30,31)9(25,26)8(23,24)7(21,22)5(17,18)1-34-6(19,20)4(16)36-12(32,33)10(27,28)29/h4H,1H2
InChIKeyYDJHDKOWHQAPLH-UHFFFAOYSA-N
MW594.11 g/mol
LogP7.25
Rot. Bonds12

About 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

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 (PubChem CID 175997125) has the molecular formula C12H3F21O3 and a molecular weight of 594.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)-6-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]hexane
PubChem CID175997125
Molecular FormulaC12H3F21O3
Molecular Weight594.11 g/mol
Exact Mass593.97
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluoro-1-(1,2,2-trifluoroethenoxy)-6-[1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]hexane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)C(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C12H3F21O3/c13-2(14)3(15)35-11(30,31)9(25,26)8(23,24)7(21,22)5(17,18)1-34-6(19,20)4(16)36-12(32,33)10(27,28)29/h4H,1H2
InChIKeyYDJHDKOWHQAPLH-UHFFFAOYSA-N
XLogP7.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.11
LogP ≤ 57.25
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'}

Analyze 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 with MolForge

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Related Compounds

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-(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
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-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane
CID 134451384
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoyl fluoride
CID 100950644
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
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propan-2-ol
CID 142549364
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
1,1,2,2-tetrafluoro-1-[2,2,3,3-tetrafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]butane
CID 88860218
1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
CID 6365941

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)C(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is YDJHDKOWHQAPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F21O3/c13-2(14)3(15)35-11(30,31)9(25,26)8(23,24)7(21,22)5(17,18)1-34-6(19,20)4(16)36-12(32,33)10(27,28)29/h4H,1H2.
What are the key properties of 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?
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 has a molecular weight of 594.11 g/mol, XLogP of 7.25, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175997125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).