6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole

C11H12F3N — CID 70866710

IUPAC6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NC(C(F)(F)F)C2
InChIInChI=1S/C11H12F3N/c1-2-7-3-4-8-6-10(11(12,13)14)15-9(8)5-7/h3-5,10,15H,2,6H2,1H3
InChIKeyMAIOBPQJOHNYAW-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.15
Rot. Bonds1

About 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole

6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 70866710) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID70866710
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NC(C(F)(F)F)C2
InChIInChI=1S/C11H12F3N/c1-2-7-3-4-8-6-10(11(12,13)14)15-9(8)5-7/h3-5,10,15H,2,6H2,1H3
InChIKeyMAIOBPQJOHNYAW-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indoline
CID 10328
2-Methylindoline
CID 23305
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
5-Fluoroindoline
CID 2774463
2,3,3-Trimethylindoline
CID 10942760
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291
(S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735305
(S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735309
(4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 20824945

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 70866710) is 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole is CCc1ccc2c(c1)NC(C(F)(F)F)C2.
What is the InChIKey of 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is MAIOBPQJOHNYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-2-7-3-4-8-6-10(11(12,13)14)15-9(8)5-7/h3-5,10,15H,2,6H2,1H3.
What are the key properties of 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole?
6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 215.22 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 70866710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).