2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole

C17H13BrF3N — CID 118325089

IUPAC2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole
SMILESCc1cc(Br)cc(-c2[nH]c3ccc(C(F)(F)F)cc3c2C)c1
InChIInChI=1S/C17H13BrF3N/c1-9-5-11(7-13(18)6-9)16-10(2)14-8-12(17(19,20)21)3-4-15(14)22-16/h3-8,22H,1-2H3
InChIKeyQYWYENYWPAVXCB-UHFFFAOYSA-N
MW368.20 g/mol
LogP6.23
Rot. Bonds1

About 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole

2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole (PubChem CID 118325089) has the molecular formula C17H13BrF3N and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole
PubChem CID118325089
Molecular FormulaC17H13BrF3N
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Name2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole
SMILESCc1cc(Br)cc(-c2[nH]c3ccc(C(F)(F)F)cc3c2C)c1
InChIInChI=1S/C17H13BrF3N/c1-9-5-11(7-13(18)6-9)16-10(2)14-8-12(17(19,20)21)3-4-15(14)22-16/h3-8,22H,1-2H3
InChIKeyQYWYENYWPAVXCB-UHFFFAOYSA-N
XLogP6.23
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.20
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784
1-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)indole
CID 126645022
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
2-[2-(3,5-dimethylphenyl)-3-ethyl-1H-indol-5-yl]-2-methylpropanal
CID 57005944
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3998178
4-[2-(3-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4299973
1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene
CID 54289546
2-methylsulfanyl-3-phenyl-5-(trifluoromethyl)-1H-indole
CID 177386186
2-methylsulfonyl-3,6-bis(trifluoromethyl)-9H-carbazole
CID 118627048
2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 22490524

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole (CID 118325089) is 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole is Cc1cc(Br)cc(-c2[nH]c3ccc(C(F)(F)F)cc3c2C)c1.
What is the InChIKey of 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole?
The InChIKey is QYWYENYWPAVXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N/c1-9-5-11(7-13(18)6-9)16-10(2)14-8-12(17(19,20)21)3-4-15(14)22-16/h3-8,22H,1-2H3.
What are the key properties of 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole?
2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole has a molecular weight of 368.20 g/mol, XLogP of 6.23, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylphenyl)-3-methyl-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 118325089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).