(1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate

C16H15F2NO3 — CID 11460966

IUPAC(1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC1CC=C(F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H15F2NO3/c1-11(17)16(21)22-10-13-7-8-14(18)15(20)19(13)9-12-5-3-2-4-6-12/h2-6,8,13H,1,7,9-10H2
InChIKeyJVJDNKBJDWWPKD-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.67
Rot. Bonds5

About (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate

(1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate (PubChem CID 11460966) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name(1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate
PubChem CID11460966
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name(1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC1CC=C(F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H15F2NO3/c1-11(17)16(21)22-10-13-7-8-14(18)15(20)19(13)9-12-5-3-2-4-6-12/h2-6,8,13H,1,7,9-10H2
InChIKeyJVJDNKBJDWWPKD-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.67
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

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2381526
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2364708
Benzyldiethyl(2-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium chloride
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Ethyl (2E)-4-(dibenzylamino)-2-pentenoate
CID 11834278
2-[benzyl(ethyl)amino]ethyl (E)-3-phenylprop-2-enoate
CID 57692987
Methylacryloxyethyl dimethylbenzyl ammonium chloride
CID 140411678
Ethyl 2-[benzyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 78941971
2-(Acryloyloxy)-N-benzyl-N,N-dimethylethanaminium
CID 162074
Benzyldiethyl(2-((1-oxoallyl)oxy)ethyl)ammonium chloride
CID 3016663
[2-(Acryloyloxy)-1-methylethyl]benzyldimethylammonium chloride
CID 21149760
Methyl 1-[(2-fluoro-4-iodophenyl)methyl]-2-(methoxymethyl)-6-oxopyridine-4-carboxylate
CID 54406145
methyl (E)-3-[(2R,6S)-1-(3-butenoyl)-6-(3,4,5-trifluorophenyl)piperidin-2-yl]acrylate
CID 67461396

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate?
The IUPAC name of (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate (CID 11460966) is (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate.
What is the SMILES notation for (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate?
The canonical SMILES for (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCC1CC=C(F)C(=O)N1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate?
The InChIKey is JVJDNKBJDWWPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-11(17)16(21)22-10-13-7-8-14(18)15(20)19(13)9-12-5-3-2-4-6-12/h2-6,8,13H,1,7,9-10H2.
What are the key properties of (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate?
(1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate has a molecular weight of 307.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-fluoro-6-oxo-2,3-dihydropyridin-2-yl)methyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 11460966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).