2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde

C17H12F3NO — CID 3505439

IUPAC2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3c(C(F)(F)F)cccc3c2C=O)cc1
InChIInChI=1S/C17H12F3NO/c1-10-5-7-11(8-6-10)15-13(9-22)12-3-2-4-14(16(12)21-15)17(18,19)20/h2-9,21H,1H3
InChIKeyUTTDGKJLOBYAAZ-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.97
Rot. Bonds2

About 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde

2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde (PubChem CID 3505439) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
PubChem CID3505439
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3c(C(F)(F)F)cccc3c2C=O)cc1
InChIInChI=1S/C17H12F3NO/c1-10-5-7-11(8-6-10)15-13(9-22)12-3-2-4-14(16(12)21-15)17(18,19)20/h2-9,21H,1H3
InChIKeyUTTDGKJLOBYAAZ-UHFFFAOYSA-N
XLogP4.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.97
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-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde (CID 3505439) is 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3c(C(F)(F)F)cccc3c2C=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The InChIKey is UTTDGKJLOBYAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c1-10-5-7-11(8-6-10)15-13(9-22)12-3-2-4-14(16(12)21-15)17(18,19)20/h2-9,21H,1H3.
What are the key properties of 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde?
2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde has a molecular weight of 303.28 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3505439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).