5-tert-butyl-2-(trifluoromethyl)-1H-indole

C13H14F3N — CID 84629986

IUPAC5-tert-butyl-2-(trifluoromethyl)-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C13H14F3N/c1-12(2,3)9-4-5-10-8(6-9)7-11(17-10)13(14,15)16/h4-7,17H,1-3H3
InChIKeyRFQWUXZVYGPVLH-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.48
Rot. Bonds

About 5-tert-butyl-2-(trifluoromethyl)-1H-indole

5-tert-butyl-2-(trifluoromethyl)-1H-indole (PubChem CID 84629986) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-tert-butyl-2-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(trifluoromethyl)-1H-indole
PubChem CID84629986
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name5-tert-butyl-2-(trifluoromethyl)-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C13H14F3N/c1-12(2,3)9-4-5-10-8(6-9)7-11(17-10)13(14,15)16/h4-7,17H,1-3H3
InChIKeyRFQWUXZVYGPVLH-UHFFFAOYSA-N
XLogP4.48
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-2-(trifluoromethyl)-1H-indole
CID 83485208
5-bromo-2-tert-butyl-1H-indole
CID 65337909
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
10-methyl-3,7-bis[2-(trifluoromethyl)-1H-indol-5-yl]phenothiazine
CID 171073426
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
CID 147581275
CID 147581275
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
5-[2-(trifluoromethyl)-1H-indol-5-yl]-1H-pyrazol-3-amine
CID 117419196
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide
CID 84581711

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(trifluoromethyl)-1H-indole?
The IUPAC name of 5-tert-butyl-2-(trifluoromethyl)-1H-indole (CID 84629986) is 5-tert-butyl-2-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(trifluoromethyl)-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(trifluoromethyl)-1H-indole is CC(C)(C)c1ccc2[nH]c(C(F)(F)F)cc2c1.
What is the InChIKey of 5-tert-butyl-2-(trifluoromethyl)-1H-indole?
The InChIKey is RFQWUXZVYGPVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-12(2,3)9-4-5-10-8(6-9)7-11(17-10)13(14,15)16/h4-7,17H,1-3H3.
What are the key properties of 5-tert-butyl-2-(trifluoromethyl)-1H-indole?
5-tert-butyl-2-(trifluoromethyl)-1H-indole has a molecular weight of 241.26 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 84629986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).