methyl 2-fluoro-3-methoxypropanoate

C5H9FO3 — CID 150351873

IUPACmethyl 2-fluoro-3-methoxypropanoate
SMILESCOCC(F)C(=O)OC
InChIInChI=1S/C5H9FO3/c1-8-3-4(6)5(7)9-2/h4H,3H2,1-2H3
InChIKeyGTXDNKIBZRMRML-UHFFFAOYSA-N
MW136.12 g/mol
LogP0.14
Rot. Bonds3

About methyl 2-fluoro-3-methoxypropanoate

methyl 2-fluoro-3-methoxypropanoate (PubChem CID 150351873) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is methyl 2-fluoro-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-methoxypropanoate
PubChem CID150351873
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Namemethyl 2-fluoro-3-methoxypropanoate
SMILESCOCC(F)C(=O)OC
InChIInChI=1S/C5H9FO3/c1-8-3-4(6)5(7)9-2/h4H,3H2,1-2H3
InChIKeyGTXDNKIBZRMRML-UHFFFAOYSA-N
XLogP0.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-methoxypropanoate?
The IUPAC name of methyl 2-fluoro-3-methoxypropanoate (CID 150351873) is methyl 2-fluoro-3-methoxypropanoate.
What is the SMILES notation for methyl 2-fluoro-3-methoxypropanoate?
The canonical SMILES for methyl 2-fluoro-3-methoxypropanoate is COCC(F)C(=O)OC.
What is the InChIKey of methyl 2-fluoro-3-methoxypropanoate?
The InChIKey is GTXDNKIBZRMRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c1-8-3-4(6)5(7)9-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-fluoro-3-methoxypropanoate?
methyl 2-fluoro-3-methoxypropanoate has a molecular weight of 136.12 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-methoxypropanoate is sourced from PubChem (CID 150351873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).