(E)-4-(fluoromethoxy)but-2-enoic acid

C5H7FO3 — CID 140934870

IUPAC(E)-4-(fluoromethoxy)but-2-enoic acid
SMILESO=C(O)/C=C/COCF
InChIInChI=1S/C5H7FO3/c6-4-9-3-1-2-5(7)8/h1-2H,3-4H2,(H,7,8)/b2-1+
InChIKeyUIAJUGLJADLPLR-OWOJBTEDSA-N
MW134.11 g/mol
LogP0.57
Rot. Bonds4

About (E)-4-(fluoromethoxy)but-2-enoic acid

(E)-4-(fluoromethoxy)but-2-enoic acid (PubChem CID 140934870) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is (E)-4-(fluoromethoxy)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(fluoromethoxy)but-2-enoic acid
PubChem CID140934870
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name(E)-4-(fluoromethoxy)but-2-enoic acid
SMILESO=C(O)/C=C/COCF
InChIInChI=1S/C5H7FO3/c6-4-9-3-1-2-5(7)8/h1-2H,3-4H2,(H,7,8)/b2-1+
InChIKeyUIAJUGLJADLPLR-OWOJBTEDSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(fluoromethoxy)but-2-enoic acid?
The IUPAC name of (E)-4-(fluoromethoxy)but-2-enoic acid (CID 140934870) is (E)-4-(fluoromethoxy)but-2-enoic acid.
What is the SMILES notation for (E)-4-(fluoromethoxy)but-2-enoic acid?
The canonical SMILES for (E)-4-(fluoromethoxy)but-2-enoic acid is O=C(O)/C=C/COCF.
What is the InChIKey of (E)-4-(fluoromethoxy)but-2-enoic acid?
The InChIKey is UIAJUGLJADLPLR-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H7FO3/c6-4-9-3-1-2-5(7)8/h1-2H,3-4H2,(H,7,8)/b2-1+.
What are the key properties of (E)-4-(fluoromethoxy)but-2-enoic acid?
(E)-4-(fluoromethoxy)but-2-enoic acid has a molecular weight of 134.11 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(fluoromethoxy)but-2-enoic acid is sourced from PubChem (CID 140934870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).