5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole

C15H9ClF3N — CID 1472079

IUPAC5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H9ClF3N/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(20-12)15(17,18)19/h1-8,20H
InChIKeyGGADJBPCLUBUIQ-UHFFFAOYSA-N
MW295.69 g/mol
LogP5.51
Rot. Bonds1

About 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole

5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole (PubChem CID 1472079) has the molecular formula C15H9ClF3N and a molecular weight of 295.69 g/mol. Its IUPAC name is 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole
PubChem CID1472079
Molecular FormulaC15H9ClF3N
Molecular Weight295.69 g/mol
Exact Mass295.04
IUPAC Name5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H9ClF3N/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(20-12)15(17,18)19/h1-8,20H
InChIKeyGGADJBPCLUBUIQ-UHFFFAOYSA-N
XLogP5.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.69
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole?
The IUPAC name of 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole (CID 1472079) is 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole?
The canonical SMILES for 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole is FC(F)(F)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole?
The InChIKey is GGADJBPCLUBUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(20-12)15(17,18)19/h1-8,20H.
What are the key properties of 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole?
5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole has a molecular weight of 295.69 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 1472079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).