1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine

C10H9F2N — CID 58321903

IUPAC1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine
SMILESC=C/C(=N\C)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N/c1-3-10(13-2)8-5-4-7(11)6-9(8)12/h3-6H,1H2,2H3/b13-10+
InChIKeyCWXJQPZJYPSQGP-JLHYYAGUSA-N
MW181.18 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine

1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine (PubChem CID 58321903) has the molecular formula C10H9F2N and a molecular weight of 181.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine
PubChem CID58321903
Molecular FormulaC10H9F2N
Molecular Weight181.18 g/mol
Exact Mass181.07
IUPAC Name1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine
SMILESC=C/C(=N\C)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N/c1-3-10(13-2)8-5-4-7(11)6-9(8)12/h3-6H,1H2,2H3/b13-10+
InChIKeyCWXJQPZJYPSQGP-JLHYYAGUSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-N-methylprop-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

Acetophenone oxime
CID 5464950
A-967079
CID 42641861
6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Acetophenonoxime
CID 69185
Ethanamine, N-(phenylmethylene)-
CID 111239
4'-Fluoroacetophenone oxime
CID 5382861
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
(NE)-N-[2-(3,4-difluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
CID 11550569
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine (CID 58321903) is 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine is C=C/C(=N\C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine?
The InChIKey is CWXJQPZJYPSQGP-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H9F2N/c1-3-10(13-2)8-5-4-7(11)6-9(8)12/h3-6H,1H2,2H3/b13-10+.
What are the key properties of 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine?
1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine has a molecular weight of 181.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine is sourced from PubChem (CID 58321903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).