fluoro (2E)-2-ethenylpenta-2,4-dienoate

C7H7FO2 — CID 142285784

IUPACfluoro (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)OF
InChIInChI=1S/C7H7FO2/c1-3-5-6(4-2)7(9)10-8/h3-5H,1-2H2/b6-5+
InChIKeyDKLKTWGSPCRSPT-AATRIKPKSA-N
MW142.13 g/mol
LogP1.71
Rot. Bonds3

About fluoro (2E)-2-ethenylpenta-2,4-dienoate

fluoro (2E)-2-ethenylpenta-2,4-dienoate (PubChem CID 142285784) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is fluoro (2E)-2-ethenylpenta-2,4-dienoate.

Molecular Properties

Compound Namefluoro (2E)-2-ethenylpenta-2,4-dienoate
PubChem CID142285784
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Namefluoro (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)OF
InChIInChI=1S/C7H7FO2/c1-3-5-6(4-2)7(9)10-8/h3-5H,1-2H2/b6-5+
InChIKeyDKLKTWGSPCRSPT-AATRIKPKSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 fluoro (2E)-2-ethenylpenta-2,4-dienoate?
The IUPAC name of fluoro (2E)-2-ethenylpenta-2,4-dienoate (CID 142285784) is fluoro (2E)-2-ethenylpenta-2,4-dienoate.
What is the SMILES notation for fluoro (2E)-2-ethenylpenta-2,4-dienoate?
The canonical SMILES for fluoro (2E)-2-ethenylpenta-2,4-dienoate is C=C/C=C(\C=C)C(=O)OF.
What is the InChIKey of fluoro (2E)-2-ethenylpenta-2,4-dienoate?
The InChIKey is DKLKTWGSPCRSPT-AATRIKPKSA-N. The full InChI is InChI=1S/C7H7FO2/c1-3-5-6(4-2)7(9)10-8/h3-5H,1-2H2/b6-5+.
What are the key properties of fluoro (2E)-2-ethenylpenta-2,4-dienoate?
fluoro (2E)-2-ethenylpenta-2,4-dienoate has a molecular weight of 142.13 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (2E)-2-ethenylpenta-2,4-dienoate is sourced from PubChem (CID 142285784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).