2,2,3,3,3-Pentafluoropropyl 2-propenoate

C₆H₅F₅O₂CAS 356-86-5204.10 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₆H₅F₅O₂
Molar mass: 204.10 g/mol
Exact mass: 204.0210 Da
logP: 1.91Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor97.9% of notifiers
H302 Harmful if swallowed83% of notifiers
H312 Harmful in contact with skin83% of notifiers
H315 Causes skin irritation12.8% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H332 Harmful if inhaled83% of notifiers
H335 May cause respiratory irritation93.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

356-86-5

SMILES

C=CC(=O)OCC(F)(F)C(F)(F)F

InChIKey

JDVGNKIUXZQTFD-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2

Weigh it out

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

Names and synonyms

7 names

2-Propenoic acid, 2,2,3,3,3-pentafluoropropyl ester
Acrylic acid, 2,2,3,3,3-pentafluoropropyl ester
1-Propanol, 2,2,3,3,3-pentafluoro-, acrylate
1,1-Dihydroperfluoropropyl acrylate
2,2,3,3,3-Pentafluoropropyl acrylate
1H,1H-Pentafluoropropyl acrylate
2,2,3,3,3-Pentafluoropropyl prop-2-enoate

Work with 2,2,3,3,3-Pentafluoropropyl 2-propenoate

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

2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-677 % similar 1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate2264-01-973 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl acrylate307-98-273 % similar 2,2,2-Trifluoroethyl acrylate407-47-667 % similar Pentaerythritol tetraacrylate4986-89-462 % similar 1H,1H,5H-Octafluoropentyl acrylate376-84-159 % similar 2,2,3,3-Tetrafluoropropyl acrylate7383-71-357 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate52591-27-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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