2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde

C16H9ClF3NO — CID 3712734

IUPAC2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Cl)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H9ClF3NO/c17-13-4-2-1-3-10(13)15-12(8-22)11-7-9(16(18,19)20)5-6-14(11)21-15/h1-8,21H
InChIKeyUYPFBGJOJUFLMU-UHFFFAOYSA-N
MW323.70 g/mol
LogP5.32
Rot. Bonds2

About 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde

2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde (PubChem CID 3712734) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
PubChem CID3712734
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Cl)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C16H9ClF3NO/c17-13-4-2-1-3-10(13)15-12(8-22)11-7-9(16(18,19)20)5-6-14(11)21-15/h1-8,21H
InChIKeyUYPFBGJOJUFLMU-UHFFFAOYSA-N
XLogP5.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.70
LogP ≤ 55.32
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-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde (CID 3712734) is 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccc2Cl)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The InChIKey is UYPFBGJOJUFLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c17-13-4-2-1-3-10(13)15-12(8-22)11-7-9(16(18,19)20)5-6-14(11)21-15/h1-8,21H.
What are the key properties of 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde has a molecular weight of 323.70 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3712734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).