2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol

C5HF11O4 — CID 58913824

IUPAC2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol
SMILESOC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C5HF11O4/c6-1(7,17)2(8,9)18-4(13,14)20-5(15,16)19-3(10,11)12/h17H
InChIKeyUQSRQNUWEZCYNE-UHFFFAOYSA-N
MW334.04 g/mol
LogP2.83
Rot. Bonds6

About 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol

2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol (PubChem CID 58913824) has the molecular formula C5HF11O4 and a molecular weight of 334.04 g/mol. Its IUPAC name is 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol.

Molecular Properties

Compound Name2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol
PubChem CID58913824
Molecular FormulaC5HF11O4
Molecular Weight334.04 g/mol
Exact Mass333.97
IUPAC Name2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol
SMILESOC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C5HF11O4/c6-1(7,17)2(8,9)18-4(13,14)20-5(15,16)19-3(10,11)12/h17H
InChIKeyUQSRQNUWEZCYNE-UHFFFAOYSA-N
XLogP2.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanol
CID 87175870
1-[[[[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2,2-pentafluoroethane
CID 175196171
ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol
CID 170615010
1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol
CID 89282246
sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate
CID 165362394
3-[difluoro(trifluoromethoxy)methoxy]-2,3,3-trifluoroprop-1-ene
CID 175944751
4-[[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]methyl]-1,7-bis(trimethoxysilyl)heptan-4-ol
CID 174085834
1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
(Trifluoromethoxy)silane
CID 23511421
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169
1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113
[difluoro(trifluoromethoxy)methyl] cyanate
CID 150657329

Frequently Asked Questions

What is the IUPAC name of 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol?
The IUPAC name of 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol (CID 58913824) is 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol.
What is the SMILES notation for 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol?
The canonical SMILES for 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol is OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol?
The InChIKey is UQSRQNUWEZCYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O4/c6-1(7,17)2(8,9)18-4(13,14)20-5(15,16)19-3(10,11)12/h17H.
What are the key properties of 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol?
2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol has a molecular weight of 334.04 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol is sourced from PubChem (CID 58913824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).