methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride

C7H15FO6 — CID 91331782

IUPACmethanol;2-methoxyacetic acid;2-methoxyacetyl fluoride
SMILESCO.COCC(=O)F.COCC(=O)O
InChIInChI=1S/C3H5FO2.C3H6O3.CH4O/c2*1-6-2-3(4)5;1-2/h2H2,1H3;2H2,1H3,(H,4,5);2H,1H3
InChIKeyOFROVCLLINXPLF-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.55
Rot. Bonds4

About methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride

methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride (PubChem CID 91331782) has the molecular formula C7H15FO6 and a molecular weight of 214.19 g/mol. Its IUPAC name is methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride.

Molecular Properties

Compound Namemethanol;2-methoxyacetic acid;2-methoxyacetyl fluoride
PubChem CID91331782
Molecular FormulaC7H15FO6
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Namemethanol;2-methoxyacetic acid;2-methoxyacetyl fluoride
SMILESCO.COCC(=O)F.COCC(=O)O
InChIInChI=1S/C3H5FO2.C3H6O3.CH4O/c2*1-6-2-3(4)5;1-2/h2H2,1H3;2H2,1H3,(H,4,5);2H,1H3
InChIKeyOFROVCLLINXPLF-UHFFFAOYSA-N
XLogP-0.55
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride?
The IUPAC name of methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride (CID 91331782) is methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride.
What is the SMILES notation for methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride?
The canonical SMILES for methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride is CO.COCC(=O)F.COCC(=O)O.
What is the InChIKey of methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride?
The InChIKey is OFROVCLLINXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2.C3H6O3.CH4O/c2*1-6-2-3(4)5;1-2/h2H2,1H3;2H2,1H3,(H,4,5);2H,1H3.
What are the key properties of methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride?
methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride has a molecular weight of 214.19 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride is sourced from PubChem (CID 91331782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).