methoxymethyl 2-fluoroacetate

C4H7FO3 — CID 59271158

IUPACmethoxymethyl 2-fluoroacetate
SMILESCOCOC(=O)CF
InChIInChI=1S/C4H7FO3/c1-7-3-8-4(6)2-5/h2-3H2,1H3
InChIKeyLTEDSKPAUUNSPL-UHFFFAOYSA-N
MW122.09 g/mol
LogP0.10
Rot. Bonds3

About methoxymethyl 2-fluoroacetate

methoxymethyl 2-fluoroacetate (PubChem CID 59271158) has the molecular formula C4H7FO3 and a molecular weight of 122.09 g/mol. Its IUPAC name is methoxymethyl 2-fluoroacetate.

Molecular Properties

Compound Namemethoxymethyl 2-fluoroacetate
PubChem CID59271158
Molecular FormulaC4H7FO3
Molecular Weight122.09 g/mol
Exact Mass122.04
IUPAC Namemethoxymethyl 2-fluoroacetate
SMILESCOCOC(=O)CF
InChIInChI=1S/C4H7FO3/c1-7-3-8-4(6)2-5/h2-3H2,1H3
InChIKeyLTEDSKPAUUNSPL-UHFFFAOYSA-N
XLogP0.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methanol, 1-methoxy-, 1-acetate
CID 78087
Ethoxycarbonyl 2-fluoroacetate
CID 58570820
Acetyloxymethyl 2-fluoroacetate
CID 59319829
Fluoromethoxymethyl acetate
CID 60102136
Dimethoxymethyl 2,2,2-trifluoroacetate
CID 87157212
Dimethoxymethyl 2,2-difluoroacetate
CID 87157256
(2-Fluoroacetyl)oxymethyl propanoate
CID 117732561
2-Fluoroethoxymethyl 2-fluoroacetate
CID 129034290
Ethoxymethyl 2,2,2-trifluoroacetate
CID 139650340
Fluoromethoxycarbonyl propanoate
CID 153367272
Fluorooxycarbonyloxymethyl acetate
CID 154177961
Carbonofluoridoyloxymethyl 2-fluoroacetate
CID 156678146

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2-fluoroacetate?
The IUPAC name of methoxymethyl 2-fluoroacetate (CID 59271158) is methoxymethyl 2-fluoroacetate.
What is the SMILES notation for methoxymethyl 2-fluoroacetate?
The canonical SMILES for methoxymethyl 2-fluoroacetate is COCOC(=O)CF.
What is the InChIKey of methoxymethyl 2-fluoroacetate?
The InChIKey is LTEDSKPAUUNSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3/c1-7-3-8-4(6)2-5/h2-3H2,1H3.
What are the key properties of methoxymethyl 2-fluoroacetate?
methoxymethyl 2-fluoroacetate has a molecular weight of 122.09 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2-fluoroacetate is sourced from PubChem (CID 59271158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).