[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate

C10H6F2O3 — CID 153411301

IUPAC[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate
SMILESO=CO/C=C/C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H6F2O3/c11-7-1-2-8(9(12)5-7)10(14)3-4-15-6-13/h1-6H/b4-3+
InChIKeyIPKQDTPWJVVVBP-ONEGZZNKSA-N
MW212.15 g/mol
LogP1.83
Rot. Bonds4

About [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate

[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate (PubChem CID 153411301) has the molecular formula C10H6F2O3 and a molecular weight of 212.15 g/mol. Its IUPAC name is [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate.

Molecular Properties

Compound Name[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate
PubChem CID153411301
Molecular FormulaC10H6F2O3
Molecular Weight212.15 g/mol
Exact Mass212.03
IUPAC Name[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate
SMILESO=CO/C=C/C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H6F2O3/c11-7-1-2-8(9(12)5-7)10(14)3-4-15-6-13/h1-6H/b4-3+
InChIKeyIPKQDTPWJVVVBP-ONEGZZNKSA-N
XLogP1.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate 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

(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 8826849
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
5-chloro-1H-indole;2-(5-chloro-1H-indol-3-yl)-4-(2,4-difluorophenyl)-4-oxobutanoic acid;[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate
CID 159189108
(E)-1-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8826833
methyl 4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 17391085
4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 8826837
(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7945631
1-(2,4-difluorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849641
2,4-difluorobenzoyl bromide
CID 87349807
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7945612
2,4-difluorobenzamide;dihydrochloride
CID 22032026
2-(2,4-difluorobenzoyl)propanedioate
CID 19379742

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate?
The IUPAC name of [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate (CID 153411301) is [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate.
What is the SMILES notation for [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate?
The canonical SMILES for [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate is O=CO/C=C/C(=O)c1ccc(F)cc1F.
What is the InChIKey of [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate?
The InChIKey is IPKQDTPWJVVVBP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H6F2O3/c11-7-1-2-8(9(12)5-7)10(14)3-4-15-6-13/h1-6H/b4-3+.
What are the key properties of [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate?
[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate has a molecular weight of 212.15 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl] formate is sourced from PubChem (CID 153411301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).