dimethoxymethyl 2,2-difluoroacetate

C5H8F2O4 — CID 87157256

IUPACdimethoxymethyl 2,2-difluoroacetate
SMILESCOC(OC)OC(=O)C(F)F
InChIInChI=1S/C5H8F2O4/c1-9-5(10-2)11-4(8)3(6)7/h3,5H,1-2H3
InChIKeyFOEHPEHTUQLUJZ-UHFFFAOYSA-N
MW170.11 g/mol
LogP0.37
Rot. Bonds4

About dimethoxymethyl 2,2-difluoroacetate

dimethoxymethyl 2,2-difluoroacetate (PubChem CID 87157256) has the molecular formula C5H8F2O4 and a molecular weight of 170.11 g/mol. Its IUPAC name is dimethoxymethyl 2,2-difluoroacetate.

Molecular Properties

Compound Namedimethoxymethyl 2,2-difluoroacetate
PubChem CID87157256
Molecular FormulaC5H8F2O4
Molecular Weight170.11 g/mol
Exact Mass170.04
IUPAC Namedimethoxymethyl 2,2-difluoroacetate
SMILESCOC(OC)OC(=O)C(F)F
InChIInChI=1S/C5H8F2O4/c1-9-5(10-2)11-4(8)3(6)7/h3,5H,1-2H3
InChIKeyFOEHPEHTUQLUJZ-UHFFFAOYSA-N
XLogP0.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 50.37
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 dimethoxymethyl 2,2-difluoroacetate?
The IUPAC name of dimethoxymethyl 2,2-difluoroacetate (CID 87157256) is dimethoxymethyl 2,2-difluoroacetate.
What is the SMILES notation for dimethoxymethyl 2,2-difluoroacetate?
The canonical SMILES for dimethoxymethyl 2,2-difluoroacetate is COC(OC)OC(=O)C(F)F.
What is the InChIKey of dimethoxymethyl 2,2-difluoroacetate?
The InChIKey is FOEHPEHTUQLUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O4/c1-9-5(10-2)11-4(8)3(6)7/h3,5H,1-2H3.
What are the key properties of dimethoxymethyl 2,2-difluoroacetate?
dimethoxymethyl 2,2-difluoroacetate has a molecular weight of 170.11 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl 2,2-difluoroacetate is sourced from PubChem (CID 87157256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).