7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile

C13H11F3N2 — CID 84634593

IUPAC7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
SMILESCCc1cccc2c(C#N)c(C(F)(F)F)n(C)c12
InChIInChI=1S/C13H11F3N2/c1-3-8-5-4-6-9-10(7-17)12(13(14,15)16)18(2)11(8)9/h4-6H,3H2,1-2H3
InChIKeyJGOPFHXKMUVCGE-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.63
Rot. Bonds1

About 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile

7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 84634593) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
PubChem CID84634593
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
SMILESCCc1cccc2c(C#N)c(C(F)(F)F)n(C)c12
InChIInChI=1S/C13H11F3N2/c1-3-8-5-4-6-9-10(7-17)12(13(14,15)16)18(2)11(8)9/h4-6H,3H2,1-2H3
InChIKeyJGOPFHXKMUVCGE-UHFFFAOYSA-N
XLogP3.63
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635921
6,7-dichloro-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile
CID 15335330
1-ethyl-9-methylcarbazole
CID 21455608
2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile
CID 71421585
7-ethyl-1,3-dimethylindole-2-carbaldehyde
CID 82491522
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
7-ethyl-2-methylindazole-3-carbonitrile
CID 174309536
6-ethyl-2,3-bis(trifluoromethyl)benzonitrile
CID 135742790
7-ethyl-1-[2-(4-fluorophenoxy)ethyl]indole-3-carbonitrile
CID 126210727
2-(3-cyano-7-ethylindol-1-yl)acetamide
CID 900742
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile (CID 84634593) is 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile is CCc1cccc2c(C#N)c(C(F)(F)F)n(C)c12.
What is the InChIKey of 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is JGOPFHXKMUVCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-3-8-5-4-6-9-10(7-17)12(13(14,15)16)18(2)11(8)9/h4-6H,3H2,1-2H3.
What are the key properties of 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile?
7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 252.24 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-2-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 84634593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).