2-ethyl-4-fluoropenta-2,4-dienoic acid

C7H9FO2 — CID 87644886

IUPAC2-ethyl-4-fluoropenta-2,4-dienoic acid
SMILESC=C(F)C=C(CC)C(=O)O
InChIInChI=1S/C7H9FO2/c1-3-6(7(9)10)4-5(2)8/h4H,2-3H2,1H3,(H,9,10)
InChIKeyALOCDXNMHIRUCO-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.89
Rot. Bonds3

About 2-ethyl-4-fluoropenta-2,4-dienoic acid

2-ethyl-4-fluoropenta-2,4-dienoic acid (PubChem CID 87644886) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is 2-ethyl-4-fluoropenta-2,4-dienoic acid.

Molecular Properties

Compound Name2-ethyl-4-fluoropenta-2,4-dienoic acid
PubChem CID87644886
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name2-ethyl-4-fluoropenta-2,4-dienoic acid
SMILESC=C(F)C=C(CC)C(=O)O
InChIInChI=1S/C7H9FO2/c1-3-6(7(9)10)4-5(2)8/h4H,2-3H2,1H3,(H,9,10)
InChIKeyALOCDXNMHIRUCO-UHFFFAOYSA-N
XLogP1.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoropenta-2,4-dienoic acid?
The IUPAC name of 2-ethyl-4-fluoropenta-2,4-dienoic acid (CID 87644886) is 2-ethyl-4-fluoropenta-2,4-dienoic acid.
What is the SMILES notation for 2-ethyl-4-fluoropenta-2,4-dienoic acid?
The canonical SMILES for 2-ethyl-4-fluoropenta-2,4-dienoic acid is C=C(F)C=C(CC)C(=O)O.
What is the InChIKey of 2-ethyl-4-fluoropenta-2,4-dienoic acid?
The InChIKey is ALOCDXNMHIRUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-3-6(7(9)10)4-5(2)8/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-ethyl-4-fluoropenta-2,4-dienoic acid?
2-ethyl-4-fluoropenta-2,4-dienoic acid has a molecular weight of 144.14 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoropenta-2,4-dienoic acid is sourced from PubChem (CID 87644886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).