2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde

C17H13F2NO — CID 3777313

IUPAC2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C=O)c2c1
InChIInChI=1S/C17H13F2NO/c1-2-10-3-6-16-12(7-10)13(9-21)17(20-16)11-4-5-14(18)15(19)8-11/h3-9,20H,2H2,1H3
InChIKeyFHVLWAHTZKPCFC-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.49
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde

2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde (PubChem CID 3777313) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
PubChem CID3777313
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C=O)c2c1
InChIInChI=1S/C17H13F2NO/c1-2-10-3-6-16-12(7-10)13(9-21)17(20-16)11-4-5-14(18)15(19)8-11/h3-9,20H,2H2,1H3
InChIKeyFHVLWAHTZKPCFC-UHFFFAOYSA-N
XLogP4.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde 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

2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
5-butyl-2-(3-fluoro-4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3834483
2-(4-ethylphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3736320
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
2-(4-ethylphenyl)-4,6-difluoro-1H-indole-3-carbaldehyde
CID 123407385
2-(2-ethoxyphenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3834482
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450
2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
CID 3781970
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde (CID 3777313) is 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde is CCc1ccc2[nH]c(-c3ccc(F)c(F)c3)c(C=O)c2c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
The InChIKey is FHVLWAHTZKPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c1-2-10-3-6-16-12(7-10)13(9-21)17(20-16)11-4-5-14(18)15(19)8-11/h3-9,20H,2H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde?
2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde has a molecular weight of 285.29 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3777313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).