4-(4-Trifluoromethylphenyl)-1-indanone

HCID 21702067

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCc2c1cccc2-c1ccc(C(F)(F)F)cc1
InChIKey: FATYYZLLFHTLGX-UHFFFAOYSA-N
Molecular formula: C16H11F3O
Average molar mass: 276.25 g/mol

Names & identifiers

Preferred name: 4-(4-Trifluoromethylphenyl)-1-indanone
IUPAC: 4-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one

Names & synonyms

4-(4-Trifluoromethylphenyl)-1-indanone4-(4-(Trifluoromethyl)phenyl)-2,3-dihydro-1H-inden-1-oneSCHEMBL6206012A1-716394-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one255895-85-3

Database identifiers

PubChem CID: 21702067

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 368

Related reactions

8 records

New reaction record

HRID 134161As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164880As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1533113As productuspto-grants-2001_03

HRID 1533114As reactantuspto-grants-2001_03

HRID 1595240As productuspto-grants-2001_09

HRID 1595241As reactantuspto-grants-2001_09

HRID 1595246As productuspto-grants-2001_09

HRID 1595247As reactantuspto-grants-2001_09

Compound notes

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