2-ethyl-3-(trifluoromethyl)-1H-indole

C11H10F3N — CID 147285687

IUPAC2-ethyl-3-(trifluoromethyl)-1H-indole
SMILESCCc1[nH]c2ccccc2c1C(F)(F)F
InChIInChI=1S/C11H10F3N/c1-2-8-10(11(12,13)14)7-5-3-4-6-9(7)15-8/h3-6,15H,2H2,1H3
InChIKeyCTEKTVLBDGBUDW-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.75
Rot. Bonds1

About 2-ethyl-3-(trifluoromethyl)-1H-indole

2-ethyl-3-(trifluoromethyl)-1H-indole (PubChem CID 147285687) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-ethyl-3-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-ethyl-3-(trifluoromethyl)-1H-indole
PubChem CID147285687
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name2-ethyl-3-(trifluoromethyl)-1H-indole
SMILESCCc1[nH]c2ccccc2c1C(F)(F)F
InChIInChI=1S/C11H10F3N/c1-2-8-10(11(12,13)14)7-5-3-4-6-9(7)15-8/h3-6,15H,2H2,1H3
InChIKeyCTEKTVLBDGBUDW-UHFFFAOYSA-N
XLogP3.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-ethyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 150592049
ethyl 2-(2-ethyl-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 135003503
2,3-diethyl-1H-indole;hydrate
CID 70606554
3-(trifluoromethyl)-1H-indol-2-ol
CID 154142036
bis(9H-carbazole);propane
CID 90987002
3-ethyl-2-propyl-1H-indole
CID 65335384
2-methyl-1-(trifluoromethyl)-9H-carbazole
CID 173176935
3-[(Z)-but-1-enyl]-2-ethyl-1H-indole
CID 143650330
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
2-benzyl-3-ethyl-1H-indole
CID 13115106
1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
CID 67690251
2,2-difluoro-2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 116840602

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-ethyl-3-(trifluoromethyl)-1H-indole (CID 147285687) is 2-ethyl-3-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-ethyl-3-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-ethyl-3-(trifluoromethyl)-1H-indole is CCc1[nH]c2ccccc2c1C(F)(F)F.
What is the InChIKey of 2-ethyl-3-(trifluoromethyl)-1H-indole?
The InChIKey is CTEKTVLBDGBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-2-8-10(11(12,13)14)7-5-3-4-6-9(7)15-8/h3-6,15H,2H2,1H3.
What are the key properties of 2-ethyl-3-(trifluoromethyl)-1H-indole?
2-ethyl-3-(trifluoromethyl)-1H-indole has a molecular weight of 213.20 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 147285687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).