ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate

C11H9F4NO2 — CID 10890700

IUPACethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate
SMILESC=C(Cc1c(F)c(F)nc(F)c1F)C(=O)OCC
InChIInChI=1S/C11H9F4NO2/c1-3-18-11(17)5(2)4-6-7(12)9(14)16-10(15)8(6)13/h2-4H2,1H3
InChIKeyRPCSWVQGYVIYSM-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.30
Rot. Bonds4

About ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate

ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate (PubChem CID 10890700) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate
PubChem CID10890700
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Nameethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate
SMILESC=C(Cc1c(F)c(F)nc(F)c1F)C(=O)OCC
InChIInChI=1S/C11H9F4NO2/c1-3-18-11(17)5(2)4-6-7(12)9(14)16-10(15)8(6)13/h2-4H2,1H3
InChIKeyRPCSWVQGYVIYSM-UHFFFAOYSA-N
XLogP2.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-methylidenepropanedioate;mercury
CID 174815236
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-methyl-2-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanoate
CID 21198210
ethyl 4-fluoro-2-methylidenebutanoate;hydrochloride
CID 175431630
ethyl 2-[(3,6-dibromopyridazin-4-yl)methyl]prop-2-enoate
CID 129322780
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
ethyl 2-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]prop-2-enoate
CID 141186251
ethyl 2-[[5-(4-fluorobenzoyl)-2,6-dimethoxypyrimidin-4-yl]methyl]prop-2-enoate
CID 134975279
CID 175995571
CID 175995571
ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate
CID 19876462
bis(ethyl 2-methylidenebutanoate);propanedioic acid
CID 87587562
ethyl 2,4-dimethylidene-5-oxohexanoate
CID 11116678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate (CID 10890700) is ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate is C=C(Cc1c(F)c(F)nc(F)c1F)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate?
The InChIKey is RPCSWVQGYVIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO2/c1-3-18-11(17)5(2)4-6-7(12)9(14)16-10(15)8(6)13/h2-4H2,1H3.
What are the key properties of ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate?
ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate has a molecular weight of 263.19 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]prop-2-enoate is sourced from PubChem (CID 10890700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).