(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid

C8H9FO2 — CID 143656480

IUPAC(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
SMILESC=C/C=C(F)\C(=C/C)C(=O)O
InChIInChI=1S/C8H9FO2/c1-3-5-7(9)6(4-2)8(10)11/h3-5H,1H2,2H3,(H,10,11)/b6-4+,7-5+
InChIKeyFWNMMIYUEFVLBK-YDFGWWAZSA-N
MW156.16 g/mol
LogP2.06
Rot. Bonds3

About (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid

(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid (PubChem CID 143656480) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
PubChem CID143656480
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
SMILESC=C/C=C(F)\C(=C/C)C(=O)O
InChIInChI=1S/C8H9FO2/c1-3-5-7(9)6(4-2)8(10)11/h3-5H,1H2,2H3,(H,10,11)/b6-4+,7-5+
InChIKeyFWNMMIYUEFVLBK-YDFGWWAZSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 52.06
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,3E)-2-ethylidene-3-fluorohexa-3,5-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

(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
2-ethylidenepropanedioic acid
CID 15930801
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
CID 142332735
ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
CID 143594011
(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
(2E,3E)-3-anilino-2-ethylidenehexa-3,5-dienoic acid
CID 145172295
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788
(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410
(3E)-3-fluoro-2-methylidenehexa-3,5-dienal
CID 142607987
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
(2Z,4E,5Z)-2-fluoro-4-prop-2-enylideneocta-2,5,7-trienoic acid
CID 126761936

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid?
The IUPAC name of (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid (CID 143656480) is (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid.
What is the SMILES notation for (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid?
The canonical SMILES for (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid is C=C/C=C(F)\C(=C/C)C(=O)O.
What is the InChIKey of (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid?
The InChIKey is FWNMMIYUEFVLBK-YDFGWWAZSA-N. The full InChI is InChI=1S/C8H9FO2/c1-3-5-7(9)6(4-2)8(10)11/h3-5H,1H2,2H3,(H,10,11)/b6-4+,7-5+.
What are the key properties of (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid?
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid has a molecular weight of 156.16 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid is sourced from PubChem (CID 143656480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).