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

C6F12O3 — CID 87579205

IUPAC1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6F12O3/c7-1(8)2(9)19-6(17,18)21-4(12,13)3(10,11)20-5(14,15)16
InChIKeyLCVLVWQPMRAJQW-UHFFFAOYSA-N
MW348.04 g/mol
LogP4.33
Rot. Bonds6

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

1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane (PubChem CID 87579205) has the molecular formula C6F12O3 and a molecular weight of 348.04 g/mol. Its IUPAC name is 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
PubChem CID87579205
Molecular FormulaC6F12O3
Molecular Weight348.04 g/mol
Exact Mass347.97
IUPAC Name1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6F12O3/c7-1(8)2(9)19-6(17,18)21-4(12,13)3(10,11)20-5(14,15)16
InChIKeyLCVLVWQPMRAJQW-UHFFFAOYSA-N
XLogP4.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[Difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
1,1'-((Difluoromethylene)bis(oxy))bis(1,2,2-trifluoroethylene)
CID 83770
1-[Difluoro(pentafluoroethoxy)methoxy]-1,2,2-trifluoroethene
CID 15515048
2-(Difluoromethylene)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 22283745
Fomblin z-15
CID 12837400
1,2-Bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
CID 18920695
1,1-Bis(trifluoromethoxy)-2,2-difluoroethene
CID 22292402
1,1,1,2-Tetrafluoro-2,2-bis(1,2,2-trifluoroethenoxy)ethane
CID 25110978
1-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
CID 57349774
1,1,1,3,3,5,5,7,7,8,8,10,11,11-Tetradecafluoro-2,4,6,9-tetraoxaundec-10-ene
CID 57370965
1,2-Bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane
CID 58017936
[Difluoro-(2,4,5-trifluoro-1,3-dioxol-2-yl)methyl] hypofluorite
CID 58927011

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane (CID 87579205) is 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane is FC(F)=C(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
The InChIKey is LCVLVWQPMRAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O3/c7-1(8)2(9)19-6(17,18)21-4(12,13)3(10,11)20-5(14,15)16.
What are the key properties of 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane?
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane has a molecular weight of 348.04 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 87579205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).