1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane

C9HF19O3 — CID 18671047

IUPAC1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
SMILESFC(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9HF19O3/c10-1(2(11,12)13)29-7(22,23)3(14,5(16,17)18)30-8(24,25)4(15,6(19,20)21)31-9(26,27)28/h1H
InChIKeyXUIAQIJGBFRSAI-UHFFFAOYSA-N
MW518.07 g/mol
LogP6.06
Rot. Bonds7

About 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane

1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane (PubChem CID 18671047) has the molecular formula C9HF19O3 and a molecular weight of 518.07 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
PubChem CID18671047
Molecular FormulaC9HF19O3
Molecular Weight518.07 g/mol
Exact Mass517.96
IUPAC Name1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
SMILESFC(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9HF19O3/c10-1(2(11,12)13)29-7(22,23)3(14,5(16,17)18)30-8(24,25)4(15,6(19,20)21)31-9(26,27)28/h1H
InChIKeyXUIAQIJGBFRSAI-UHFFFAOYSA-N
XLogP6.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.07
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane with MolForge

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Related Compounds

2H-Tricosafluoro-5,8,11,14-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecane
CID 123459
Propane, 1-[1-[difluoro(1,2,2,2-tetrafluoroethoxy)methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,3-heptafluoro-
CID 102982
2H-Perfluoro-5,8-dimethyl-3,6,9-trioxadodecane
CID 102983
3,6,9,12-Tetraoxapentadecane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-eicosafluoro-5,8,11-tris(trifluoromethyl)-
CID 117327
3,6,9,12,15,18-Hexaoxaheneicosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-
CID 123535
3,6,9,12,15,18,21,24,27-Nonaoxatriacontane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-
CID 6453736
3,6,9,12,15,18,21-Heptaoxatetracosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,23,24,24,24-nonacosafluoro-5,8,11,14,17,20-hexakis(trifluoromethyl)-
CID 6453864
3,6,9,12,15,18,21,24-Octaoxaheptacosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,26,27,27,27-dotriacontafluoro-5,8,11,14,17,20,23-heptakis(trifluoromethyl)-
CID 56843365
Diethylene glycol bis(tetra-fluoropropyl) ether
CID 129762925
1-[1,3-Bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane
CID 23269427
(2S)-1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[(1R)-1,2,2,2-tetrafluoroethoxy]propane
CID 97290986
1-(2,2,2-Trifluoroethoxy)-2-(trifluoromethoxy)-1,1,2-trifluoroethane
CID 11579838

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane (CID 18671047) is 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane is FC(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane?
The InChIKey is XUIAQIJGBFRSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF19O3/c10-1(2(11,12)13)29-7(22,23)3(14,5(16,17)18)30-8(24,25)4(15,6(19,20)21)31-9(26,27)28/h1H.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane?
1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane has a molecular weight of 518.07 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane is sourced from PubChem (CID 18671047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).