ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate

C12H12FNO3 — CID 91419249

IUPACethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate
SMILESCCOC(=O)C(=Cc1cccc(F)c1)NC=O
InChIInChI=1S/C12H12FNO3/c1-2-17-12(16)11(14-8-15)7-9-4-3-5-10(13)6-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyLYUUHCRPENMQDJ-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.48
Rot. Bonds5

About ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate

ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate (PubChem CID 91419249) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate
PubChem CID91419249
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Nameethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate
SMILESCCOC(=O)C(=Cc1cccc(F)c1)NC=O
InChIInChI=1S/C12H12FNO3/c1-2-17-12(16)11(14-8-15)7-9-4-3-5-10(13)6-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyLYUUHCRPENMQDJ-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
CID 641319
ethyl 3-(3,4-dimethoxyphenyl)-2-formamidoprop-2-enoate
CID 85438887
ethyl (2Z)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate
CID 5388615
ethyl (E)-2-cyano-3-(3-fluorophenyl)prop-2-enoate
CID 803189
ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate
CID 74935582
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enamide
CID 143272339
ethyl N-[(Z)-2-cyano-3-(3-fluorophenyl)prop-2-enoyl]carbamate
CID 177430018
ethyl 4-[(E)-2-(3-fluorophenyl)ethenyl]benzoate
CID 138543086
ethyl N-[2-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108906414
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
propyl (E)-2-cyano-3-(3-fluorophenyl)prop-2-enoate
CID 139577762
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate?
The IUPAC name of ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate (CID 91419249) is ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate.
What is the SMILES notation for ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate?
The canonical SMILES for ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate is CCOC(=O)C(=Cc1cccc(F)c1)NC=O.
What is the InChIKey of ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate?
The InChIKey is LYUUHCRPENMQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-2-17-12(16)11(14-8-15)7-9-4-3-5-10(13)6-9/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate?
ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate has a molecular weight of 237.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate is sourced from PubChem (CID 91419249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).