(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid

C11H11FO2 — CID 126761936

IUPAC(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid
SMILESC=C/C=C\C(\C=C(/F)C(=O)O)=C/C=C
InChIInChI=1S/C11H11FO2/c1-3-5-7-9(6-4-2)8-10(12)11(13)14/h3-8H,1-2H2,(H,13,14)/b7-5-,9-6+,10-8-
InChIKeyDRTAIKRDBIGEFJ-WGXSJNKASA-N
MW194.20 g/mol
LogP2.78
Rot. Bonds5

About (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid

(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid (PubChem CID 126761936) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid.

Molecular Properties

Compound Name(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid
PubChem CID126761936
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid
SMILESC=C/C=C\C(\C=C(/F)C(=O)O)=C/C=C
InChIInChI=1S/C11H11FO2/c1-3-5-7-9(6-4-2)8-10(12)11(13)14/h3-8H,1-2H2,(H,13,14)/b7-5-,9-6+,10-8-
InChIKeyDRTAIKRDBIGEFJ-WGXSJNKASA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.78
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'}

Analyze (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic 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

(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid
CID 144698849
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
2-methylidenehexa-3,5-dienoic acid;hydrate
CID 87513549
(3E,6Z,8E)-7-hydroxyundeca-1,3,6,8,10-pentaen-5-one
CID 101443501
(2E,4Z)-4-ethenylhepta-2,4,6-trienal
CID 118145094
(2E,3E)-3-[[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 155110175
(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
1,3-bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]urea
CID 134386892
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
CID 129259251
ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
CID 142901922

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid?
The IUPAC name of (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid (CID 126761936) is (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid.
What is the SMILES notation for (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid?
The canonical SMILES for (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid is C=C/C=C\C(\C=C(/F)C(=O)O)=C/C=C.
What is the InChIKey of (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid?
The InChIKey is DRTAIKRDBIGEFJ-WGXSJNKASA-N. The full InChI is InChI=1S/C11H11FO2/c1-3-5-7-9(6-4-2)8-10(12)11(13)14/h3-8H,1-2H2,(H,13,14)/b7-5-,9-6+,10-8-.
What are the key properties of (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid?
(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid has a molecular weight of 194.20 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid is sourced from PubChem (CID 126761936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).