1-(4-fluoro-2-(trifluoromethyl)benzyl)-1H-indazole-5-carbaldehyde

HCID 86654587

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1ccc2c(cnn2Cc2ccc(F)cc2C(F)(F)F)c1
InChIKey: PDJOPHBFAPCPNO-UHFFFAOYSA-N
Molecular formula: C16H10F4N2O
Average molar mass: 322.26 g/mol
Monoisotopic mass: 322.0729256

Names & identifiers

Preferred name: 1-(4-fluoro-2-(trifluoromethyl)benzyl)-1H-indazole-5-carbaldehyde
IUPAC: 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde

Names & synonyms

1312704-83-81-(4-fluoro-2-(trifluoromethyl)benzyl)-1H-indazole-5-carbaldehydeSCHEMBL1692548DA-30991[4-fluoro-2-(trifluoromethyl)benzyl]-1H-indazol-5-carbaldehyde1-(4-Fluoro-2-trifluoromethyl-benzyl)-1H-indazole-5-carbaldehyde

Database identifiers

PubChem CID: 86654587

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 34.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 431

Related reactions

12 records

New reaction record

HRID 289494As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 319035As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1236014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1949507As productuspto-grants-2013_03

HRID 1949508As reactantuspto-grants-2013_03

HRID 1949510As reactantuspto-grants-2013_03

HRID 2384761As productuspto-grants-2012_09

HRID 2384762As reactantuspto-grants-2012_09

Compound notes

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