2-(Aminomethyl)-4-(2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-pentan-2-ol

HCID 73199765

Notes Reactions

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Basic information

Standard SMILES: CC(C)(CC(O)(CN)C(F)(F)F)c1cccc2c1OCC2
InChIKey: FPKQZZQJFCNMIL-UHFFFAOYSA-N
Molecular formula: C15H20F3NO2
Average molar mass: 303.32 g/mol

Names & identifiers

Preferred name: 2-(Aminomethyl)-4-(2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-pentan-2-ol
IUPAC: 2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

Names & synonyms

2-(Aminomethyl)-4-(2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-pentan-2-ol2307552-73-22-(Aminomethyl)-4-(2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-olstarbld0026691C15H20F3NO2MFCD32061942AKOS034834137MS-208162-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol

Database identifiers

PubChem CID: 73199765

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 55.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 372

Related reactions

2 records

New reaction record

HRID 672392As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1538560As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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