ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate

C13H15FO3 — CID 66983148

IUPACethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate
SMILESCCOC(=O)C(F)=CCc1ccccc1OC
InChIInChI=1S/C13H15FO3/c1-3-17-13(15)11(14)9-8-10-6-4-5-7-12(10)16-2/h4-7,9H,3,8H2,1-2H3
InChIKeyFEEBVRRNGHQZTL-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.65
Rot. Bonds5

About ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate

ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate (PubChem CID 66983148) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate
PubChem CID66983148
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate
SMILESCCOC(=O)C(F)=CCc1ccccc1OC
InChIInChI=1S/C13H15FO3/c1-3-17-13(15)11(14)9-8-10-6-4-5-7-12(10)16-2/h4-7,9H,3,8H2,1-2H3
InChIKeyFEEBVRRNGHQZTL-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine
CID 66982604
2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
CID 66982700
ethyl 2-fluoro-4-(3-methylphenyl)but-2-enoate
CID 66983006
ethyl 2-[2-(fluoromethyl)-6-methoxyphenyl]-2-oxoacetate
CID 117352678
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
CID 13468543
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206
ethyl (E)-2-[2-(hydroxymethyl)phenoxy]but-2-enoate
CID 15741893
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate?
The IUPAC name of ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate (CID 66983148) is ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate.
What is the SMILES notation for ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate?
The canonical SMILES for ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate is CCOC(=O)C(F)=CCc1ccccc1OC.
What is the InChIKey of ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate?
The InChIKey is FEEBVRRNGHQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-3-17-13(15)11(14)9-8-10-6-4-5-7-12(10)16-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate?
ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate has a molecular weight of 238.26 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate is sourced from PubChem (CID 66983148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).