2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate

C14H13FO3 — CID 174495594

IUPAC2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=Cc1ccc(F)cc1
InChIInChI=1S/C14H13FO3/c1-9(2)13(16)18-14(17)10(3)8-11-4-6-12(15)7-5-11/h4-8H,1H2,2-3H3
InChIKeyBDOGNOYYNZUSGO-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.87
Rot. Bonds3

About 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate

2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate (PubChem CID 174495594) has the molecular formula C14H13FO3 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate
PubChem CID174495594
Molecular FormulaC14H13FO3
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=Cc1ccc(F)cc1
InChIInChI=1S/C14H13FO3/c1-9(2)13(16)18-14(17)10(3)8-11-4-6-12(15)7-5-11/h4-8H,1H2,2-3H3
InChIKeyBDOGNOYYNZUSGO-UHFFFAOYSA-N
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate 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)-4-(4-fluorophenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435524
4-fluorobenzaldehyde;3-(4-fluorophenyl)-2-methylprop-2-enoic acid
CID 159204345
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
ethyl 2-bromo-3-(4-fluorophenyl)prop-2-enoate
CID 73413130
1-phenylbut-1-en-2-yl 2-methylprop-2-enoate
CID 175009492
methyl (2E)-2-[(4-fluorophenyl)methylidene]-3-oxopentanoate
CID 15924232
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
methyl (E)-3-(4-bromophenyl)-2-methylprop-2-enoate
CID 16664756
[3-hydroxy-2-(2-methyl-3-phenylprop-2-enoyl)oxypropyl] 5-hydroxy-2-methylidenepentanoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 89457385
[1-(4-fluorophenyl)-3-methylbut-2-enyl] 2-methylprop-2-enoate
CID 167189018
3-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 2868691

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate (CID 174495594) is 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)C(C)=Cc1ccc(F)cc1.
What is the InChIKey of 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate?
The InChIKey is BDOGNOYYNZUSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3/c1-9(2)13(16)18-14(17)10(3)8-11-4-6-12(15)7-5-11/h4-8H,1H2,2-3H3.
What are the key properties of 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate?
2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate has a molecular weight of 248.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 3-(4-fluorophenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 174495594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).