[difluoro(fluoromethoxy)methyl] methyl carbonate

C4H5F3O4 — CID 118390526

IUPAC[difluoro(fluoromethoxy)methyl] methyl carbonate
SMILESCOC(=O)OC(F)(F)OCF
InChIInChI=1S/C4H5F3O4/c1-9-3(8)11-4(6,7)10-2-5/h2H2,1H3
InChIKeyMZHJGVCEDDZVRZ-UHFFFAOYSA-N
MW174.07 g/mol
LogP1.26
Rot. Bonds3

About [difluoro(fluoromethoxy)methyl] methyl carbonate

[difluoro(fluoromethoxy)methyl] methyl carbonate (PubChem CID 118390526) has the molecular formula C4H5F3O4 and a molecular weight of 174.07 g/mol. Its IUPAC name is [difluoro(fluoromethoxy)methyl] methyl carbonate.

Molecular Properties

Compound Name[difluoro(fluoromethoxy)methyl] methyl carbonate
PubChem CID118390526
Molecular FormulaC4H5F3O4
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Name[difluoro(fluoromethoxy)methyl] methyl carbonate
SMILESCOC(=O)OC(F)(F)OCF
InChIInChI=1S/C4H5F3O4/c1-9-3(8)11-4(6,7)10-2-5/h2H2,1H3
InChIKeyMZHJGVCEDDZVRZ-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)methyl] methyl carbonate?
The IUPAC name of [difluoro(fluoromethoxy)methyl] methyl carbonate (CID 118390526) is [difluoro(fluoromethoxy)methyl] methyl carbonate.
What is the SMILES notation for [difluoro(fluoromethoxy)methyl] methyl carbonate?
The canonical SMILES for [difluoro(fluoromethoxy)methyl] methyl carbonate is COC(=O)OC(F)(F)OCF.
What is the InChIKey of [difluoro(fluoromethoxy)methyl] methyl carbonate?
The InChIKey is MZHJGVCEDDZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O4/c1-9-3(8)11-4(6,7)10-2-5/h2H2,1H3.
What are the key properties of [difluoro(fluoromethoxy)methyl] methyl carbonate?
[difluoro(fluoromethoxy)methyl] methyl carbonate has a molecular weight of 174.07 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(fluoromethoxy)methyl] methyl carbonate is sourced from PubChem (CID 118390526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).