(2,3,4,5,6-Pentafluorophenyl) prop-2-enoate

C₉H₃F₅O₂CAS 71195-85-2238.11 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ester

Properties

Molecular formula: C₉H₃F₅O₂
Molar mass: 238.11 g/mol
Exact mass: 238.0053 Da
logP: 2.47Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

71195-85-2

SMILES

C=CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

InChIKey

RFOWDPMCXHVGET-UHFFFAOYSA-N

InChI

InChI=1S/C9H3F5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Pentafluorophenyl acrylate

Work with (2,3,4,5,6-Pentafluorophenyl) prop-2-enoate

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

Bis(pentafluorophenyl) oxalate16536-48-450 % similar Dipentafluorophenylcarbonate59483-84-050 % similar 2,4,6-Tribromophenyl acrylate3741-77-347 % similar Pentafluorophenyl acetate19220-93-045 % similar Acrylic anhydride2051-76-544 % similar Pentafluorophenyl trifluoroacetate14533-84-742 % similar Ethylene glycol diacrylate26570-48-940 % similar Methyl acrylate96-33-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(2,3,4,5,6-Pentafluorophenyl)-2-propenoic acid719-60-8

Elsewhere

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