[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate

C18H12F2O3 — CID 11726774

IUPAC[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(F)cc1)OC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C18H12F2O3/c19-15-7-1-13(2-8-15)5-11-17(21)23-18(22)12-6-14-3-9-16(20)10-4-14/h1-12H/b11-5+,12-6+
InChIKeyBXLFCXREWVHSDD-YDWXAUTNSA-N
MW314.29 g/mol
LogP3.76
Rot. Bonds4

About [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate

[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 11726774) has the molecular formula C18H12F2O3 and a molecular weight of 314.29 g/mol. Its IUPAC name is [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID11726774
Molecular FormulaC18H12F2O3
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(F)cc1)OC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C18H12F2O3/c19-15-7-1-13(2-8-15)5-11-17(21)23-18(22)12-6-14-3-9-16(20)10-4-14/h1-12H/b11-5+,12-6+
InChIKeyBXLFCXREWVHSDD-YDWXAUTNSA-N
XLogP3.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.76
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 [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-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

(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
4-[(E)-3-(4-fluorophenoxy)-3-oxoprop-1-enyl]benzoic acid
CID 142730477
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917641
cyclopropylmethyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232790
methyl 3-[4-[(E)-2-(4-fluorophenyl)-3-hydroxyprop-1-enyl]phenyl]prop-2-enoate
CID 68768999
(2,3-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232920
(1E,4Z,6E)-1,7-bis(4-fluorophenyl)-5-hydroxyhepta-1,4,6-trien-3-one
CID 53324897
methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
CID 115024471
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)prop-2-enoate
CID 4003551

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate (CID 11726774) is [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate is O=C(/C=C/c1ccc(F)cc1)OC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is BXLFCXREWVHSDD-YDWXAUTNSA-N. The full InChI is InChI=1S/C18H12F2O3/c19-15-7-1-13(2-8-15)5-11-17(21)23-18(22)12-6-14-3-9-16(20)10-4-14/h1-12H/b11-5+,12-6+.
What are the key properties of [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate?
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 314.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 11726774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).