(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid

C11H13FO3 — CID 156838042

IUPAC(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid
SMILESC=C/C(=C\C(F)=C/C)C(=O)CCC(=O)O
InChIInChI=1S/C11H13FO3/c1-3-8(7-9(12)4-2)10(13)5-6-11(14)15/h3-4,7H,1,5-6H2,2H3,(H,14,15)/b8-7+,9-4+
InChIKeyBYYAVCHTQKWMHH-UQZXCRFKSA-N
MW212.22 g/mol
LogP2.41
Rot. Bonds6

About (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid

(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid (PubChem CID 156838042) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid.

Molecular Properties

Compound Name(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid
PubChem CID156838042
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid
SMILESC=C/C(=C\C(F)=C/C)C(=O)CCC(=O)O
InChIInChI=1S/C11H13FO3/c1-3-8(7-9(12)4-2)10(13)5-6-11(14)15/h3-4,7H,1,5-6H2,2H3,(H,14,15)/b8-7+,9-4+
InChIKeyBYYAVCHTQKWMHH-UQZXCRFKSA-N
XLogP2.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E,6Z)-5-ethylidene-4-oxonona-6,8-dienoic acid
CID 142223223
acetic acid;butanedioic acid;prop-2-enoic acid
CID 161289385
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
CID 146517614
3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
ethane;ethene;(Z)-4-ethenylhex-4-enoic acid
CID 177225786
butanedioic acid;N-methylethenamine
CID 159613877
butanedioic acid;ethene
CID 87532899
2-ethenylhex-2-enedioic acid
CID 150605900
5-acetamido-4-oxohex-5-enoic acid
CID 11715298
(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
CID 142861932
butanedioic acid;2-oxopentanedioic acid
CID 87572846
butanedioic acid;prop-2-ene-1-thiol
CID 173017966

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid?
The IUPAC name of (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid (CID 156838042) is (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid.
What is the SMILES notation for (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid?
The canonical SMILES for (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid is C=C/C(=C\C(F)=C/C)C(=O)CCC(=O)O.
What is the InChIKey of (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid?
The InChIKey is BYYAVCHTQKWMHH-UQZXCRFKSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-8(7-9(12)4-2)10(13)5-6-11(14)15/h3-4,7H,1,5-6H2,2H3,(H,14,15)/b8-7+,9-4+.
What are the key properties of (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid?
(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid is sourced from PubChem (CID 156838042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).