(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal

C8H9FO2 — CID 143610538

IUPAC(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal
SMILESC=C/C(OC)=C(/C=O)C(=C)F
InChIInChI=1S/C8H9FO2/c1-4-8(11-3)7(5-10)6(2)9/h4-5H,1-2H2,3H3/b8-7+
InChIKeyWZDKZJZTUVYLAC-BQYQJAHWSA-N
MW156.16 g/mol
LogP1.75
Rot. Bonds4

About (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal

(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal (PubChem CID 143610538) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal.

Molecular Properties

Compound Name(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal
PubChem CID143610538
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal
SMILESC=C/C(OC)=C(/C=O)C(=C)F
InChIInChI=1S/C8H9FO2/c1-4-8(11-3)7(5-10)6(2)9/h4-5H,1-2H2,3H3/b8-7+
InChIKeyWZDKZJZTUVYLAC-BQYQJAHWSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal 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

(3E)-2-methylidene-4-(trifluoromethoxy)hexa-3,5-dienal;prop-1-ene
CID 144424997
(2E,4E)-2-ethenyl-5-(trifluoromethoxy)hexa-2,4-dienal
CID 146602438
(2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal
CID 143371746
(2Z,4E,6Z)-4-fluoro-5-methoxy-3-(2-methylprop-1-enyl)-2-[(E)-pent-1-enyl]nona-2,4,6,8-tetraenal
CID 163390902
(2Z)-3-(difluoromethoxy)-2-ethenylpenta-2,4-dienal
CID 177184192
(2E,4Z)-3-methoxy-2-methylhexa-2,4-dienal
CID 89762352
(E,4Z)-2-methyl-4-(2-methylidenefuran-3-ylidene)but-2-enal
CID 89975958
2-(1-Methoxyprop-2-enylidene)hexa-3,5-dienal
CID 90757380
2-Ethenyl-3-methoxypenta-2,4-dienal
CID 123203867
3-Ethoxy-2-methylhexa-2,4-dienal
CID 123538470
(2Z)-2-ethenyl-3-(methoxymethoxy)penta-2,4-dienal
CID 134216657
ethane;(2Z,4Z)-2-ethenyl-3-methoxy-4-methylhexa-2,4-dienal
CID 141984750

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal?
The IUPAC name of (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal (CID 143610538) is (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal.
What is the SMILES notation for (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal?
The canonical SMILES for (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal is C=C/C(OC)=C(/C=O)C(=C)F.
What is the InChIKey of (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal?
The InChIKey is WZDKZJZTUVYLAC-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H9FO2/c1-4-8(11-3)7(5-10)6(2)9/h4-5H,1-2H2,3H3/b8-7+.
What are the key properties of (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal?
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal has a molecular weight of 156.16 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal is sourced from PubChem (CID 143610538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).