Dimethyl 2-fluoroterephthalate

C10H9FO4CAS 5292-47-7212.18 g/mol

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Aryl halideEster

Properties

Molecular formula
C10H9FO4
Molar mass
212.18 g/mol
Exact mass
212.0485 Da
Melting point
82–83 °C
logP
1.40Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5292-47-7
SMILES
COC(=O)c1ccc(C(=O)OC)c(F)c1
InChIKey
NCRFSIQSCLJDIC-UHFFFAOYSA-N
InChI
InChI=1S/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

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Names and synonyms

4 names
  • 1,4-Benzenedicarboxylic acid, 2-fluoro-, 1,4-dimethyl ester
  • Terephthalic acid, fluoro-, dimethyl ester
  • 1,4-Benzenedicarboxylic acid, 2-fluoro-, dimethyl ester
  • 1,4-Dimethyl 2-fluorobenzene-1,4-dicarboxylate

Work with Dimethyl 2-fluoroterephthalate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3,4-difluorobenzoate369-25-575 % similar Methyl-4-amino-3-fluorobenzoate185629-32-771 % similar Methyl 2,4-difluorobenzoate106614-28-271 % similar Trimethyl trimellitate2459-10-169 % similar 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-267 % similar Methyl 2-fluoro-4-hydroxybenzoate197507-22-567 % similar Methyl 3-fluoro-4-hydroxybenzoate403-01-067 % similar Dimethyl 3-aminoterephthalate5372-81-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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