1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde

C15H11F2NO — CID 122476064

IUPAC1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde
SMILESO=Cc1cccc2c1CCN2c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2NO/c16-13-5-4-11(8-14(13)17)18-7-6-12-10(9-19)2-1-3-15(12)18/h1-5,8-9H,6-7H2
InChIKeyJKBUYKLBPCDFFH-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.47
Rot. Bonds2

About 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde

1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde (PubChem CID 122476064) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde
PubChem CID122476064
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde
SMILESO=Cc1cccc2c1CCN2c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2NO/c16-13-5-4-11(8-14(13)17)18-7-6-12-10(9-19)2-1-3-15(12)18/h1-5,8-9H,6-7H2
InChIKeyJKBUYKLBPCDFFH-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde?
The IUPAC name of 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde (CID 122476064) is 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde?
The canonical SMILES for 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde is O=Cc1cccc2c1CCN2c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde?
The InChIKey is JKBUYKLBPCDFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-13-5-4-11(8-14(13)17)18-7-6-12-10(9-19)2-1-3-15(12)18/h1-5,8-9H,6-7H2.
What are the key properties of 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde?
1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde has a molecular weight of 259.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2,3-dihydroindole-4-carbaldehyde is sourced from PubChem (CID 122476064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).