2-(Benzyloxy)-4-fluorobenzonitrile

HCID 21069828

Notes Reactions

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Basic information

Standard SMILES: N#Cc1ccc(F)cc1OCc1ccccc1
InChIKey: GFLSENJRQRASDS-UHFFFAOYSA-N
Molecular formula: C14H10FNO
Average molar mass: 227.23 g/mol

Names & identifiers

Preferred name: 2-(Benzyloxy)-4-fluorobenzonitrile
IUPAC: 4-fluoro-2-phenylmethoxybenzonitrile

Names & synonyms

2-(Benzyloxy)-4-fluorobenzonitrile503293-06-92-Benzyloxy-4-fluoro-benzonitrileSCHEMBL5518372-benzyloxy4-fluoro-benzonitrileGFLSENJRQRASDS-UHFFFAOYSA-N4-fluoro-2-phenylmethoxybenzonitrileMFCD18204937DB-111605A1-26624

Database identifiers

PubChem CID: 21069828

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 279

Related reactions

17 records

New reaction record

HRID 348166As productuspto-grants-2007_02

HRID 348167As reactantuspto-grants-2007_02

HRID 505699As productuspto-grants-2010_08

HRID 505700As reactantuspto-grants-2010_08

HRID 1128200As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1204455As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1271517As productuspto-grants-2007_04

HRID 1271518As reactantuspto-grants-2007_04

Compound notes

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