3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole

C16H11ClF3N — CID 141083856

IUPAC3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N/c1-9-15(10-2-5-12(17)6-3-10)13-7-4-11(16(18,19)20)8-14(13)21-9/h2-8,21H,1H3
InChIKeyWHFFECUGYXISHT-UHFFFAOYSA-N
MW309.72 g/mol
LogP5.82
Rot. Bonds1

About 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole

3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole (PubChem CID 141083856) has the molecular formula C16H11ClF3N and a molecular weight of 309.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
PubChem CID141083856
Molecular FormulaC16H11ClF3N
Molecular Weight309.72 g/mol
Exact Mass309.05
IUPAC Name3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N/c1-9-15(10-2-5-12(17)6-3-10)13-7-4-11(16(18,19)20)8-14(13)21-9/h2-8,21H,1H3
InChIKeyWHFFECUGYXISHT-UHFFFAOYSA-N
XLogP5.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.72
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
CID 136986200
6-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
CID 115110529
3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine
CID 136986044
6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 170432317
methyl 6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate
CID 155519157
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-bromo-2-(4-chlorophenyl)-4-(trifluoromethyl)benzene
CID 170795050
6-fluoro-7-methoxy-2-methyl-3-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenyl]-1H-quinolin-4-one
CID 175972232
4-(4-chloro-3-methoxyphenyl)-3-(hydroxymethyl)-7-(trifluoromethyl)-1H-quinolin-2-one
CID 174428027
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole (CID 141083856) is 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole is Cc1[nH]c2cc(C(F)(F)F)ccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole?
The InChIKey is WHFFECUGYXISHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N/c1-9-15(10-2-5-12(17)6-3-10)13-7-4-11(16(18,19)20)8-14(13)21-9/h2-8,21H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole?
3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole has a molecular weight of 309.72 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 141083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).