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

C9H8F3N — CID 10176437

IUPAC6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccc2c(c1)NCC2
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-2,5,13H,3-4H2
InChIKeyWWBVZCBWSHFMLP-UHFFFAOYSA-N
MW187.16 g/mol
LogP2.67
Rot. Bonds

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

6-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 10176437) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID10176437
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name6-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccc2c(c1)NCC2
InChIInChI=1S/C9H8F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-2,5,13H,3-4H2
InChIKeyWWBVZCBWSHFMLP-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 52.67
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
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
7-(Trifluoromethyl)quinoline-4-thiol
CID 688041
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-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
(4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 44397832

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 10176437) is 6-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(trifluoromethyl)-2,3-dihydro-1H-indole is FC(F)(F)c1ccc2c(c1)NCC2.
What is the InChIKey of 6-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is WWBVZCBWSHFMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-2,5,13H,3-4H2.
What are the key properties of 6-(trifluoromethyl)-2,3-dihydro-1H-indole?
6-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 187.16 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 10176437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).