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Molecule record

2-fluoroethyl benzoate

C9H9FO2

168.17 g/mol

Loading structure

Molecular properties

Formula
C9H9FO2
Molar mass
168.17 g·mol−1
Exact mass
168.0587 Da
5
PubChem CID
11965

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Ester
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 4-09-00-00287 (Beilstein Handbook Reference)
  • 614-43-7
  • BENZOIC ACID, 2-FLUOROETHYL ESTER
  • BRN 2208569
  • DTXCID80132813
  • DTXSID80210322
  • Ethanol, 2-fluoro-, benzoate
  • Ethanol, 2-fluoro-, benzoate (6CI,8CI,9CI)
Show all 11 synonyms
  • RefChem:326866
  • SCHEMBL10458171
  • SCHEMBL2480043

Structure identifiers

Canonical SMILES
O=C(OCCF)c1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)C(=O)OCCF
InChI
InChI=1S/C9H9FO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
HRGRPAXXFIOCAB-UHFFFAOYSA-N
PubChem CID
11965

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-fluoroethyl benzoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-fluoroethyl benzoate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record