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1-[3-Fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (HCID 67022262)｜Huagongshe

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Compound

1-[3-Fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

HCID 67022262

Notes Reactions

Basic information Names & identifiers Properties Related reactions Compound notes

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Basic information

Standard SMILES: OC1CCN(c2cccc(F)c2C(F)(F)F)C1
InChIKey: YTSATUZYQZFISZ-UHFFFAOYSA-N
Molecular formula: C11H11F4NO
Average molar mass: 249.2 g/mol

Names & identifiers

Preferred name: 1-[3-Fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
IUPAC: 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

Names & synonyms

1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-olSCHEMBL1410239

Database identifiers

PubChem CID: 67022262

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 271

Related reactions

2 records

New reaction record

HRID 812701 reaction equation

HRID 812701As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2198021 reaction equation

HRID 2198021As productuspto-grants-2012_12

Compound notes

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