1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane

C6F14O3 — CID 52991866

IUPAC1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F14O3/c7-1(2(8,9)10,21-4(13,14)15)3(11,12)22-6(19,20)23-5(16,17)18
InChIKeyDWDSPARIQHQUCN-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.45
Rot. Bonds5

About 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane

1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane (PubChem CID 52991866) has the molecular formula C6F14O3 and a molecular weight of 386.04 g/mol. Its IUPAC name is 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane
PubChem CID52991866
Molecular FormulaC6F14O3
Molecular Weight386.04 g/mol
Exact Mass385.96
IUPAC Name1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F14O3/c7-1(2(8,9)10,21-4(13,14)15)3(11,12)22-6(19,20)23-5(16,17)18
InChIKeyDWDSPARIQHQUCN-UHFFFAOYSA-N
XLogP4.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1,5,5,6,6,10,10,10-Decafluoro-3,3,8,8-tetrakis(trifluoromethyl)-2,4,7,9-tetraoxadecane
CID 138396500
1,3-Dioxolane, 4,4,5,5-tetrafluoro-2,2-bis(trifluoromethyl)-
CID 182427
Perfluoro-4-methyl-1,3-dioxolane
CID 11053484
Fomblin z-15
CID 12837400
1,2-Bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
CID 18920695
2,4,4,5-Tetrafluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 19745408
4,4,5-Trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane
CID 23183649
[Difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methyl] hypofluorite
CID 102101107
1-[Difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane
CID 118445316
[2-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090912
[2-[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090915
[2-[[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090921

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane?
The IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane (CID 52991866) is 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane.
What is the SMILES notation for 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane?
The canonical SMILES for 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane is FC(F)(F)OC(F)(F)OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane?
The InChIKey is DWDSPARIQHQUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14O3/c7-1(2(8,9)10,21-4(13,14)15)3(11,12)22-6(19,20)23-5(16,17)18.
What are the key properties of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane?
1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane has a molecular weight of 386.04 g/mol, XLogP of 4.45, 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]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane is sourced from PubChem (CID 52991866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).