1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile

C11H7F3N2O — CID 119008445

IUPAC1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
SMILESN#Cc1cccc2c1CCN2C(=O)C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-5-4-8-7(6-15)2-1-3-9(8)16/h1-3H,4-5H2
InChIKeyGDWCFZAHZHZJBI-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.01
Rot. Bonds

About 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile

1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile (PubChem CID 119008445) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
PubChem CID119008445
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
SMILESN#Cc1cccc2c1CCN2C(=O)C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-5-4-8-7(6-15)2-1-3-9(8)16/h1-3H,4-5H2
InChIKeyGDWCFZAHZHZJBI-UHFFFAOYSA-N
XLogP2.01
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 87126610
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
2,2,2-trifluoro-1-(4-oct-1-ynyl-2,3-dihydroindol-1-yl)ethanone
CID 86661816
1-[(2S)-3-(2-cyanophenoxy)-2-hydroxy-2-methylpropanoyl]-2,3-dihydroindole-4-carbonitrile
CID 90655070
1-(2-chloroacetyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 166409152
methyl 4-[(2S)-3-(4-cyano-2,3-dihydroindol-1-yl)-2-hydroxy-2-methyl-3-oxopropoxy]benzoate
CID 90655092
1-amino-2,3-dihydroindole-4-carbonitrile
CID 175227069
1-(2-methyl-6-oxopiperidine-4-carbonyl)-2,3-dihydroindole-4-carbonitrile
CID 167761414
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
1-(2-cyclopropylfuran-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 126838178
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile (CID 119008445) is 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile is N#Cc1cccc2c1CCN2C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile?
The InChIKey is GDWCFZAHZHZJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-5-4-8-7(6-15)2-1-3-9(8)16/h1-3H,4-5H2.
What are the key properties of 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile?
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile has a molecular weight of 240.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile is sourced from PubChem (CID 119008445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).