(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine

C15H12FN — CID 134891258

IUPAC(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine
SMILES[H]/N=C(/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FN/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,17H/b11-8+,17-15-
InChIKeySHWJIUBYTNXJKE-YWUIXMTJSA-N
MW225.27 g/mol
LogP3.91
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine

(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine (PubChem CID 134891258) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine
PubChem CID134891258
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine
SMILES[H]/N=C(/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H12FN/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,17H/b11-8+,17-15-
InChIKeySHWJIUBYTNXJKE-YWUIXMTJSA-N
XLogP3.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine 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

Benzophenone oxime
CID 11324
Diphenylmethylidenehydrazine
CID 79304
4'-Fluoroacetophenone oxime
CID 5382861
Ethanone, 1,2-diphenyl-, oxime
CID 5355453
Diphenylethanedione dihydrazone
CID 5356523
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
1,1'-(Diazomethylene)bis(benzene)
CID 61230
Benzophenone imine
CID 136809
2-[[(4-Fluorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 29893
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
2-(Diphenylmethylene)hydrazinecarboximidamide
CID 249134

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine?
The IUPAC name of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine (CID 134891258) is (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine is [H]/N=C(/C=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine?
The InChIKey is SHWJIUBYTNXJKE-YWUIXMTJSA-N. The full InChI is InChI=1S/C15H12FN/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,17H/b11-8+,17-15-.
What are the key properties of (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine?
(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine has a molecular weight of 225.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-imine is sourced from PubChem (CID 134891258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).