ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate

C20H17F3O2 — CID 57386566

IUPACethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3O2/c1-2-25-19(24)10-6-9-18(15-7-4-3-5-8-15)16-11-13-17(14-12-16)20(21,22)23/h3-14H,2H2,1H3/b10-6+,18-9+
InChIKeyJWVYPNOGLKEOLR-YPSCDPQASA-N
MW346.35 g/mol
LogP5.26
Rot. Bonds5

About ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate

ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate (PubChem CID 57386566) has the molecular formula C20H17F3O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
PubChem CID57386566
Molecular FormulaC20H17F3O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Nameethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H17F3O2/c1-2-25-19(24)10-6-9-18(15-7-4-3-5-8-15)16-11-13-17(14-12-16)20(21,22)23/h3-14H,2H2,1H3/b10-6+,18-9+
InChIKeyJWVYPNOGLKEOLR-YPSCDPQASA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.26
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)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-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 5-bromo-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 90693915
ethyl 4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-enoate
CID 169091906
ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 88605067
5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 141194632
5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 76533381
(2E,4Z)-5-(2-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598556
ethyl 4-methyl-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 91481403
ethyl (2E)-3-methyl-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 86633237
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
(2E,4Z)-5-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87620296
(2E,4Z)-5-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 86633264
5-(4-methylsulfanylphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 90829348

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate (CID 57386566) is ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate is CCOC(=O)/C=C/C=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate?
The InChIKey is JWVYPNOGLKEOLR-YPSCDPQASA-N. The full InChI is InChI=1S/C20H17F3O2/c1-2-25-19(24)10-6-9-18(15-7-4-3-5-8-15)16-11-13-17(14-12-16)20(21,22)23/h3-14H,2H2,1H3/b10-6+,18-9+.
What are the key properties of ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate?
ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate has a molecular weight of 346.35 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate is sourced from PubChem (CID 57386566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).