2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde

C14H9F4IN2O — CID 89144915

IUPAC2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde
SMILESO=CCNc1c(F)cc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H9F4IN2O/c15-8-5-7(19)1-2-11(8)21-14-12(18)9(16)6-10(17)13(14)20-3-4-22/h1-2,4-6,20-21H,3H2
InChIKeyWFMVKHHQSXMNJO-UHFFFAOYSA-N
MW424.14 g/mol
LogP4.20
Rot. Bonds5

About 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde

2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde (PubChem CID 89144915) has the molecular formula C14H9F4IN2O and a molecular weight of 424.14 g/mol. Its IUPAC name is 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde.

Molecular Properties

Compound Name2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde
PubChem CID89144915
Molecular FormulaC14H9F4IN2O
Molecular Weight424.14 g/mol
Exact Mass423.97
IUPAC Name2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde
SMILESO=CCNc1c(F)cc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H9F4IN2O/c15-8-5-7(19)1-2-11(8)21-14-12(18)9(16)6-10(17)13(14)20-3-4-22/h1-2,4-6,20-21H,3H2
InChIKeyWFMVKHHQSXMNJO-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.14
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde 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

3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
2-(2,4,6-trifluoroanilino)acetaldehyde
CID 168941947
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 143758150
1,2-difluoro-3-(2-fluoro-4-iodoanilino)-4-[[methyl-[2-(methylamino)ethyl]sulfamoyl]amino]benzene
CID 11591614
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine
CID 24765524
methyl 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-formylbenzoate
CID 156808966
(2,3,4,5,6-pentafluorophenyl) 3,4,5-trifluoro-2-(2-fluoro-4-iodoanilino)benzoate
CID 23398481
3,4,6-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid
CID 22226015
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 167361757
deuterium monohydride;5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
CID 161004349
2-N-[(1-but-3-enylcyclopropyl)sulfamoyl]-4,5-difluoro-3-N-(2-fluoro-4-iodophenyl)-1-N-methylbenzene-1,2,3-triamine
CID 24765357

Frequently Asked Questions

What is the IUPAC name of 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde?
The IUPAC name of 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde (CID 89144915) is 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde.
What is the SMILES notation for 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde?
The canonical SMILES for 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde is O=CCNc1c(F)cc(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde?
The InChIKey is WFMVKHHQSXMNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4IN2O/c15-8-5-7(19)1-2-11(8)21-14-12(18)9(16)6-10(17)13(14)20-3-4-22/h1-2,4-6,20-21H,3H2.
What are the key properties of 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde?
2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde has a molecular weight of 424.14 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4,6-trifluoro-2-(2-fluoro-4-iodoanilino)anilino]acetaldehyde is sourced from PubChem (CID 89144915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).