1-(4-(Trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

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Basic information

Standard SMILES: FC(F)(F)c1ccc(C2NCCc3ccccc32)cc1
InChIKey: YPHQWGSEPCKQEG-UHFFFAOYSA-N
Molecular formula: C16H14F3N
Average molar mass: 277.28 g/mol

Names & identifiers

Preferred name: 1-(4-(Trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC: 1-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

Names & synonyms

757880-98-11-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline1-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolineSCHEMBL3052805AKOS005067512HS-4241DA-03034(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline1,2,3,4-Tetrahydro-1-[4-(trifluoromethyl)phenyl]isoquinoline

Database identifiers

PubChem CID: 16640696
Nikkaji: J3.026.701J

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 320

Related reactions

47 records

New reaction record

HRID 92557As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 106919As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111864As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161776As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168405As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170339As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 171042As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 182136As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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