(2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal

C8H9FO2 — CID 143371746

IUPAC(2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal
SMILESC=C/C=C(C=O)\C=C(/F)OC
InChIInChI=1S/C8H9FO2/c1-3-4-7(6-10)5-8(9)11-2/h3-6H,1H2,2H3/b7-4+,8-5+
InChIKeyHSNPFVDPSZALCJ-NSLJXJERSA-N
MW156.16 g/mol
LogP1.75
Rot. Bonds4

About (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal

(2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal (PubChem CID 143371746) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal
PubChem CID143371746
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal
SMILESC=C/C=C(C=O)\C=C(/F)OC
InChIInChI=1S/C8H9FO2/c1-3-4-7(6-10)5-8(9)11-2/h3-6H,1H2,2H3/b7-4+,8-5+
InChIKeyHSNPFVDPSZALCJ-NSLJXJERSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal?
The IUPAC name of (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal (CID 143371746) is (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal.
What is the SMILES notation for (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal?
The canonical SMILES for (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal is C=C/C=C(C=O)\C=C(/F)OC.
What is the InChIKey of (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal?
The InChIKey is HSNPFVDPSZALCJ-NSLJXJERSA-N. The full InChI is InChI=1S/C8H9FO2/c1-3-4-7(6-10)5-8(9)11-2/h3-6H,1H2,2H3/b7-4+,8-5+.
What are the key properties of (2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal?
(2E)-2-[(Z)-2-fluoro-2-methoxyethenyl]penta-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-[(Z)-2-fluoro-2-methoxyethenyl]penta-2,4-dienal is sourced from PubChem (CID 143371746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).