1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane

C5F12O3 — CID 12837400

IUPAC1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5F12O3/c6-1(7,18-3(10,11)12)2(8,9)19-5(16,17)20-4(13,14)15
InChIKeyBYUOYHBBXCQDJS-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.81
Rot. Bonds5

About 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane

1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane (PubChem CID 12837400) has the molecular formula C5F12O3 and a molecular weight of 336.03 g/mol. Its IUPAC name is 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
PubChem CID12837400
Molecular FormulaC5F12O3
Molecular Weight336.03 g/mol
Exact Mass335.97
IUPAC Name1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5F12O3/c6-1(7,18-3(10,11)12)2(8,9)19-5(16,17)20-4(13,14)15
InChIKeyBYUOYHBBXCQDJS-UHFFFAOYSA-N
XLogP3.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,2,4,4,5,5-Hexafluoro-1,3-dioxolane
CID 23234846
1-(Difluoro(trifluoromethoxy)methoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane
CID 52991866
Perfluoro[(2-methoxyethoxy)methoxy]ethene
CID 87579205
1-(Difluoromethoxy)-2-((difluoromethoxy)difluoromethoxy)-1,1,2,2-tetrafluoroethane
CID 9948255
Perfluorodiethoxymethane
CID 15218858
2,2,4,4,5-Pentafluoro-5-(1,1,2,2,2-pentafluoroethoxy)-1,3-dioxolane
CID 10924481
Perfluorodiethoxyethane
CID 15219185
2,4,4,5,5-Pentafluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 73057112
1,1,1,2,2-Pentafluoro-2-{fluoro[bis(pentafluoroethoxy)]methoxy}ethane
CID 15218860
1-[[Difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-difluoromethoxy]-1,1,2,2,2-pentafluoroethane
CID 18920693
1,2-Bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
CID 18920695
1-[2-[Difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane
CID 53940235

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane (CID 12837400) is 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane is FC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The InChIKey is BYUOYHBBXCQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12O3/c6-1(7,18-3(10,11)12)2(8,9)19-5(16,17)20-4(13,14)15.
What are the key properties of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane has a molecular weight of 336.03 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 12837400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).