ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate

C19H17FO2 — CID 15134977

IUPACethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(F)=C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17FO2/c1-2-22-19(21)18(20)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14H,2H2,1H3/b14-13+,18-17+
InChIKeyRSRFEXYAYNQWJK-WSPGMDLHSA-N
MW296.34 g/mol
LogP4.64
Rot. Bonds5

About ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate

ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate (PubChem CID 15134977) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate
PubChem CID15134977
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Nameethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate
SMILESCCOC(=O)/C(F)=C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17FO2/c1-2-22-19(21)18(20)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14H,2H2,1H3/b14-13+,18-17+
InChIKeyRSRFEXYAYNQWJK-WSPGMDLHSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.64
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 (2E,4E)-2-fluoro-3,5-diphenylpenta-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 (2Z,4E)-2-fluoro-3-methyl-5-phenylpenta-2,4-dienoate
CID 84820398
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934
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 (2Z,4E)-2-cyano-5-[4-(difluoromethoxy)phenyl]-3-phenylpenta-2,4-dienoate
CID 2439825
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate (CID 15134977) is ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate is CCOC(=O)/C(F)=C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate?
The InChIKey is RSRFEXYAYNQWJK-WSPGMDLHSA-N. The full InChI is InChI=1S/C19H17FO2/c1-2-22-19(21)18(20)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14H,2H2,1H3/b14-13+,18-17+.
What are the key properties of ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate?
ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate has a molecular weight of 296.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate is sourced from PubChem (CID 15134977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).