methyl (E)-3-fluoro-3-methoxyprop-2-enoate

C5H7FO3 — CID 13033422

IUPACmethyl (E)-3-fluoro-3-methoxyprop-2-enoate
SMILESCOC(=O)/C=C(/F)OC
InChIInChI=1S/C5H7FO3/c1-8-4(6)3-5(7)9-2/h3H,1-2H3/b4-3-
InChIKeyJSJXPGPVVQDKAN-ARJAWSKDSA-N
MW134.11 g/mol
LogP0.62
Rot. Bonds2

About methyl (E)-3-fluoro-3-methoxyprop-2-enoate

methyl (E)-3-fluoro-3-methoxyprop-2-enoate (PubChem CID 13033422) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is methyl (E)-3-fluoro-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-fluoro-3-methoxyprop-2-enoate
PubChem CID13033422
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Namemethyl (E)-3-fluoro-3-methoxyprop-2-enoate
SMILESCOC(=O)/C=C(/F)OC
InChIInChI=1S/C5H7FO3/c1-8-4(6)3-5(7)9-2/h3H,1-2H3/b4-3-
InChIKeyJSJXPGPVVQDKAN-ARJAWSKDSA-N
XLogP0.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-fluoro-3-methoxyprop-2-enoate?
The IUPAC name of methyl (E)-3-fluoro-3-methoxyprop-2-enoate (CID 13033422) is methyl (E)-3-fluoro-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (E)-3-fluoro-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (E)-3-fluoro-3-methoxyprop-2-enoate is COC(=O)/C=C(/F)OC.
What is the InChIKey of methyl (E)-3-fluoro-3-methoxyprop-2-enoate?
The InChIKey is JSJXPGPVVQDKAN-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H7FO3/c1-8-4(6)3-5(7)9-2/h3H,1-2H3/b4-3-.
What are the key properties of methyl (E)-3-fluoro-3-methoxyprop-2-enoate?
methyl (E)-3-fluoro-3-methoxyprop-2-enoate has a molecular weight of 134.11 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-fluoro-3-methoxyprop-2-enoate is sourced from PubChem (CID 13033422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).