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

C6H3F11O3 — CID 118445316

IUPAC1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane
SMILESCOC(F)(C(F)(F)F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C6H3F11O3/c1-18-2(7,3(8,9)10)4(11,12)19-6(16,17)20-5(13,14)15/h1H3
InChIKeyUMGFJQBOZZNGAB-UHFFFAOYSA-N
MW332.07 g/mol
LogP3.56
Rot. Bonds5

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

1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane (PubChem CID 118445316) has the molecular formula C6H3F11O3 and a molecular weight of 332.07 g/mol. Its IUPAC name is 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane.

Molecular Properties

Compound Name1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane
PubChem CID118445316
Molecular FormulaC6H3F11O3
Molecular Weight332.07 g/mol
Exact Mass331.99
IUPAC Name1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane
SMILESCOC(F)(C(F)(F)F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C6H3F11O3/c1-18-2(7,3(8,9)10)4(11,12)19-6(16,17)20-5(13,14)15/h1H3
InChIKeyUMGFJQBOZZNGAB-UHFFFAOYSA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.07
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane?
The IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane (CID 118445316) is 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane.
What is the SMILES notation for 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane?
The canonical SMILES for 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane is COC(F)(C(F)(F)F)C(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane?
The InChIKey is UMGFJQBOZZNGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O3/c1-18-2(7,3(8,9)10)4(11,12)19-6(16,17)20-5(13,14)15/h1H3.
What are the key properties of 1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane?
1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-methoxypropane has a molecular weight of 332.07 g/mol, XLogP of 3.56, 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-methoxypropane is sourced from PubChem (CID 118445316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).