2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde

C16H11F2NO — CID 87406474

IUPAC2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc2[nH]c(-c3c(F)cccc3F)c(C=O)c2c1
InChIInChI=1S/C16H11F2NO/c1-9-5-6-14-10(7-9)11(8-20)16(19-14)15-12(17)3-2-4-13(15)18/h2-8,19H,1H3
InChIKeyPFROKPCGVIARHL-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.23
Rot. Bonds2

About 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde

2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde (PubChem CID 87406474) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
PubChem CID87406474
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc2[nH]c(-c3c(F)cccc3F)c(C=O)c2c1
InChIInChI=1S/C16H11F2NO/c1-9-5-6-14-10(7-9)11(8-20)16(19-14)15-12(17)3-2-4-13(15)18/h2-8,19H,1H3
InChIKeyPFROKPCGVIARHL-UHFFFAOYSA-N
XLogP4.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde (CID 87406474) is 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde is Cc1ccc2[nH]c(-c3c(F)cccc3F)c(C=O)c2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde?
The InChIKey is PFROKPCGVIARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c1-9-5-6-14-10(7-9)11(8-20)16(19-14)15-12(17)3-2-4-13(15)18/h2-8,19H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde?
2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde has a molecular weight of 271.27 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 87406474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).