difluoromethoxymethyl methyl carbonate

C4H6F2O4 — CID 152620772

IUPACdifluoromethoxymethyl methyl carbonate
SMILESCOC(=O)OCOC(F)F
InChIInChI=1S/C4H6F2O4/c1-8-4(7)10-2-9-3(5)6/h3H,2H2,1H3
InChIKeyZBLYPCJHGHIUHY-UHFFFAOYSA-N
MW156.08 g/mol
LogP0.97
Rot. Bonds3

About difluoromethoxymethyl methyl carbonate

difluoromethoxymethyl methyl carbonate (PubChem CID 152620772) has the molecular formula C4H6F2O4 and a molecular weight of 156.08 g/mol. Its IUPAC name is difluoromethoxymethyl methyl carbonate.

Molecular Properties

Compound Namedifluoromethoxymethyl methyl carbonate
PubChem CID152620772
Molecular FormulaC4H6F2O4
Molecular Weight156.08 g/mol
Exact Mass156.02
IUPAC Namedifluoromethoxymethyl methyl carbonate
SMILESCOC(=O)OCOC(F)F
InChIInChI=1S/C4H6F2O4/c1-8-4(7)10-2-9-3(5)6/h3H,2H2,1H3
InChIKeyZBLYPCJHGHIUHY-UHFFFAOYSA-N
XLogP0.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.08
LogP ≤ 50.97
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 difluoromethoxymethyl methyl carbonate?
The IUPAC name of difluoromethoxymethyl methyl carbonate (CID 152620772) is difluoromethoxymethyl methyl carbonate.
What is the SMILES notation for difluoromethoxymethyl methyl carbonate?
The canonical SMILES for difluoromethoxymethyl methyl carbonate is COC(=O)OCOC(F)F.
What is the InChIKey of difluoromethoxymethyl methyl carbonate?
The InChIKey is ZBLYPCJHGHIUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O4/c1-8-4(7)10-2-9-3(5)6/h3H,2H2,1H3.
What are the key properties of difluoromethoxymethyl methyl carbonate?
difluoromethoxymethyl methyl carbonate has a molecular weight of 156.08 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethoxymethyl methyl carbonate is sourced from PubChem (CID 152620772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).