4-(trifluoromethyl)-1H-indole-5-carbonitrile

HCID 67405449

Notes Reactions

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Basic information

Standard SMILES: N#Cc1ccc2[nH]ccc2c1C(F)(F)F
InChIKey: IEOJPECSLXZPFB-UHFFFAOYSA-N
Molecular formula: C10H5F3N2
Average molar mass: 210.15 g/mol

Names & identifiers

Preferred name: 4-(trifluoromethyl)-1H-indole-5-carbonitrile
IUPAC: 4-(trifluoromethyl)-1H-indole-5-carbonitrile

Names & synonyms

4-(trifluoromethyl)-1H-indole-5-carbonitrile1018974-81-61h-indole-5-carbonitrile,4-(trifluoromethyl)-SCHEMBL24323054-(trifluoromethyl)-1H-indole-5-carbonitrile 1h-indole-5-carbonitrile,4-(trifluoromethyl)-

Database identifiers

PubChem CID: 67405449

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 39.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 291

Related reactions

86 records

New reaction record

HRID 88527As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 195971As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 286929As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 293186As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 308315As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 696376As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 702341As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 811400As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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