Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-

HCID 55693

Notes Reactions

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Basic information

CAS: 87395-66-2
Standard SMILES: O=C(OC1CN2CCC1CC2)C(F)(c1ccccc1)c1ccccc1
InChIKey: JYTMGTTUIXPUMR-UHFFFAOYSA-N
Molecular formula: C21H22FNO2
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.16345711

Names & identifiers

Preferred name: Acetic acid, diphenylfluoro-, 3-quinuclidinyl ester, (+-)-
IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-fluoro-2,2-diphenylacetate

Names & synonyms

BRN 1500251(+-)-Diphenylfluoroacetic acid 3-quinuclidinyl ester87395-66-2ACETIC ACID, DIPHENYLFLUORO-, 3-QUINUCLIDINYL ESTER, (+-)-RefChem:316624CHEMBL415925DTXSID4010075361-Azabicyclo[2.2.2]octan-3-yl fluoro(diphenyl)acetate1-Azabicyclo[2.2.2]octan-3-yl fluorodi(phenyl)acetate

Database identifiers

CAS: 87395-66-2
PubChem CID: 55693
DTXSID: DTXSID401007536
ChEMBL: CHEMBL415925

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 445

Related reactions

1 records

New reaction record

HRID 2126137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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