ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate

C15H17F3O2 — CID 69304551

IUPACethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate
SMILESCCOC(=O)C(=C(CC)CC)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H17F3O2/c1-4-9(5-2)13(15(19)20-6-3)14-11(17)7-10(16)8-12(14)18/h7-8H,4-6H2,1-3H3
InChIKeyHHVWDCMKKONEPL-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.24
Rot. Bonds5

About ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate

ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate (PubChem CID 69304551) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate
PubChem CID69304551
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Nameethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate
SMILESCCOC(=O)C(=C(CC)CC)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H17F3O2/c1-4-9(5-2)13(15(19)20-6-3)14-11(17)7-10(16)8-12(14)18/h7-8H,4-6H2,1-3H3
InChIKeyHHVWDCMKKONEPL-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate 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 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate
CID 117331870
ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
CID 115782948
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254
ethyl 2-[(2,4,6-trifluoroanilino)methyl]prop-2-enoate
CID 103255006
ethyl 2-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-2-oxoacetate
CID 117404166
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
2-O-[2-(3,5-difluorophenyl)ethyl] 1-O-ethyl oxalate
CID 91656034
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
ethyl 2-(5-fluoro-2,3-dimethoxyphenyl)-2-oxoacetate
CID 117393511
ethyl 3,3-dichloro-2-(2,4-difluoro-5-methylphenyl)prop-2-enoate
CID 118684300

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate?
The IUPAC name of ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate (CID 69304551) is ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate.
What is the SMILES notation for ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate?
The canonical SMILES for ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate is CCOC(=O)C(=C(CC)CC)c1c(F)cc(F)cc1F.
What is the InChIKey of ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate?
The InChIKey is HHVWDCMKKONEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-4-9(5-2)13(15(19)20-6-3)14-11(17)7-10(16)8-12(14)18/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate?
ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate has a molecular weight of 286.29 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-(2,4,6-trifluorophenyl)pent-2-enoate is sourced from PubChem (CID 69304551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).