ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate

C14H15FO2 — CID 84820398

IUPACethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(F)=C(C)/C=C/c1ccccc1
InChIInChI=1S/C14H15FO2/c1-3-17-14(16)13(15)11(2)9-10-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/b10-9+,13-11-
InChIKeyCODNAEYXEOSAGI-LTCRFSFDSA-N
MW234.27 g/mol
LogP3.51
Rot. Bonds4

About ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate

ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate (PubChem CID 84820398) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate
PubChem CID84820398
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Nameethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(F)=C(C)/C=C/c1ccccc1
InChIInChI=1S/C14H15FO2/c1-3-17-14(16)13(15)11(2)9-10-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/b10-9+,13-11-
InChIKeyCODNAEYXEOSAGI-LTCRFSFDSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate 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

ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate
CID 15134977
ethyl 2-methylidene-4-phenylbut-3-enoate
CID 54282000
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
ethyl 2-methyl-3-(3-phenylprop-2-enoyloxy)prop-2-enoate
CID 57188799
ethyl acetate;stilbene
CID 159556390
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
ethyl carbamate;(E)-3-phenylprop-2-enoic acid
CID 70467325
ethyl (2Z,4E)-2-(acetyliminomethyl)-3-hydroxy-5-phenylpenta-2,4-dienoate
CID 135553583
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934
tert-butyl 2,3-dimethyl-5-phenylpenta-2,4-dienoate
CID 174057305

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate?
The IUPAC name of ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate (CID 84820398) is ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate is CCOC(=O)/C(F)=C(C)/C=C/c1ccccc1.
What is the InChIKey of ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate?
The InChIKey is CODNAEYXEOSAGI-LTCRFSFDSA-N. The full InChI is InChI=1S/C14H15FO2/c1-3-17-14(16)13(15)11(2)9-10-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/b10-9+,13-11-.
What are the key properties of ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate?
ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate has a molecular weight of 234.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 84820398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).