difluoro-(fluoromethoxy)-(trifluoromethoxy)methane

C3H2F6O2 — CID 20746276

IUPACdifluoro-(fluoromethoxy)-(trifluoromethoxy)methane
SMILESFCOC(F)(F)OC(F)(F)F
InChIInChI=1S/C3H2F6O2/c4-1-10-3(8,9)11-2(5,6)7/h1H2
InChIKeyFWBFKGAHKLFVGH-UHFFFAOYSA-N
MW184.03 g/mol
LogP2.02
Rot. Bonds3

About difluoro-(fluoromethoxy)-(trifluoromethoxy)methane

difluoro-(fluoromethoxy)-(trifluoromethoxy)methane (PubChem CID 20746276) has the molecular formula C3H2F6O2 and a molecular weight of 184.03 g/mol. Its IUPAC name is difluoro-(fluoromethoxy)-(trifluoromethoxy)methane.

Molecular Properties

Compound Namedifluoro-(fluoromethoxy)-(trifluoromethoxy)methane
PubChem CID20746276
Molecular FormulaC3H2F6O2
Molecular Weight184.03 g/mol
Exact Mass184.00
IUPAC Namedifluoro-(fluoromethoxy)-(trifluoromethoxy)methane
SMILESFCOC(F)(F)OC(F)(F)F
InChIInChI=1S/C3H2F6O2/c4-1-10-3(8,9)11-2(5,6)7/h1H2
InChIKeyFWBFKGAHKLFVGH-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 difluoro-(fluoromethoxy)-(trifluoromethoxy)methane?
The IUPAC name of difluoro-(fluoromethoxy)-(trifluoromethoxy)methane (CID 20746276) is difluoro-(fluoromethoxy)-(trifluoromethoxy)methane.
What is the SMILES notation for difluoro-(fluoromethoxy)-(trifluoromethoxy)methane?
The canonical SMILES for difluoro-(fluoromethoxy)-(trifluoromethoxy)methane is FCOC(F)(F)OC(F)(F)F.
What is the InChIKey of difluoro-(fluoromethoxy)-(trifluoromethoxy)methane?
The InChIKey is FWBFKGAHKLFVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O2/c4-1-10-3(8,9)11-2(5,6)7/h1H2.
What are the key properties of difluoro-(fluoromethoxy)-(trifluoromethoxy)methane?
difluoro-(fluoromethoxy)-(trifluoromethoxy)methane has a molecular weight of 184.03 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(fluoromethoxy)-(trifluoromethoxy)methane is sourced from PubChem (CID 20746276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).