dimethoxymethyl 2,2,2-trifluoroacetate

C5H7F3O4 — CID 87157212

IUPACdimethoxymethyl 2,2,2-trifluoroacetate
SMILESCOC(OC)OC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O4/c1-10-4(11-2)12-3(9)5(6,7)8/h4H,1-2H3
InChIKeyFGSPIIJSGPBMAA-UHFFFAOYSA-N
MW188.10 g/mol
LogP0.67
Rot. Bonds3

About dimethoxymethyl 2,2,2-trifluoroacetate

dimethoxymethyl 2,2,2-trifluoroacetate (PubChem CID 87157212) has the molecular formula C5H7F3O4 and a molecular weight of 188.10 g/mol. Its IUPAC name is dimethoxymethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedimethoxymethyl 2,2,2-trifluoroacetate
PubChem CID87157212
Molecular FormulaC5H7F3O4
Molecular Weight188.10 g/mol
Exact Mass188.03
IUPAC Namedimethoxymethyl 2,2,2-trifluoroacetate
SMILESCOC(OC)OC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O4/c1-10-4(11-2)12-3(9)5(6,7)8/h4H,1-2H3
InChIKeyFGSPIIJSGPBMAA-UHFFFAOYSA-N
XLogP0.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 50.67
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 2,2,2-trifluoroacetate?
The IUPAC name of dimethoxymethyl 2,2,2-trifluoroacetate (CID 87157212) is dimethoxymethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for dimethoxymethyl 2,2,2-trifluoroacetate?
The canonical SMILES for dimethoxymethyl 2,2,2-trifluoroacetate is COC(OC)OC(=O)C(F)(F)F.
What is the InChIKey of dimethoxymethyl 2,2,2-trifluoroacetate?
The InChIKey is FGSPIIJSGPBMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O4/c1-10-4(11-2)12-3(9)5(6,7)8/h4H,1-2H3.
What are the key properties of dimethoxymethyl 2,2,2-trifluoroacetate?
dimethoxymethyl 2,2,2-trifluoroacetate has a molecular weight of 188.10 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 87157212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).