difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane

C4H4F6O3 — CID 59917906

IUPACdifluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane
SMILESFCOC(F)(F)OCOC(F)(F)F
InChIInChI=1S/C4H4F6O3/c5-1-11-4(9,10)13-2-12-3(6,7)8/h1-2H2
InChIKeyIKVQIOSRHVAHOT-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.99
Rot. Bonds5

About difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane

difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane (PubChem CID 59917906) has the molecular formula C4H4F6O3 and a molecular weight of 214.06 g/mol. Its IUPAC name is difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane.

Molecular Properties

Compound Namedifluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane
PubChem CID59917906
Molecular FormulaC4H4F6O3
Molecular Weight214.06 g/mol
Exact Mass214.01
IUPAC Namedifluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane
SMILESFCOC(F)(F)OCOC(F)(F)F
InChIInChI=1S/C4H4F6O3/c5-1-11-4(9,10)13-2-12-3(6,7)8/h1-2H2
InChIKeyIKVQIOSRHVAHOT-UHFFFAOYSA-N
XLogP1.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.99
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

Oxybis[(difluoromethoxy)difluoromethane]
CID 10220579
Pentafluorodimethoxymethane
CID 136664204
Trifluoro(fluoromethoxymethoxy)methane
CID 20650242
1,1,1-Trifluoro-2,2,2-tris(fluoromethoxy)ethane
CID 22495104
1,1,1,2-Tetrafluoro-2,2-bis(fluoromethoxy)ethane
CID 22495110
[Difluoro(fluoromethoxy)methoxy]methyl hypofluorite
CID 53981058
Trifluoro(trifluoromethoxymethoxy)methane
CID 54208349
[Difluoro(trifluoromethoxy)methoxy]-difluoro-(fluoromethoxy)methane
CID 60122150
Dimethoxymethoxy(trifluoro)methane
CID 150811920
Difluoromethoxy-fluoro-(fluoromethoxy)methane
CID 153733124
Trifluoro-[fluoro(fluoromethoxy)methoxy]methane
CID 153733126
Difluoro(fluoromethoxymethoxy)methane
CID 154259915

Frequently Asked Questions

What is the IUPAC name of difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane?
The IUPAC name of difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane (CID 59917906) is difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane.
What is the SMILES notation for difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane?
The canonical SMILES for difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane is FCOC(F)(F)OCOC(F)(F)F.
What is the InChIKey of difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane?
The InChIKey is IKVQIOSRHVAHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O3/c5-1-11-4(9,10)13-2-12-3(6,7)8/h1-2H2.
What are the key properties of difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane?
difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane has a molecular weight of 214.06 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(fluoromethoxy)-(trifluoromethoxymethoxy)methane is sourced from PubChem (CID 59917906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).