Heptafluoroisopropyl acrylate

C₆H₃F₇O₂CAS 13057-08-4240.08 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₆H₃F₇O₂
Molar mass: 240.08 g/mol
Exact mass: 240.0021 Da
logP: 2.51Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

13057-08-4

SMILES

C=CC(=O)OC(F)(C(F)(F)F)C(F)(F)F

InChIKey

JTCVKNUSIGHJRG-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2

Weigh it out

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

Names and synonyms

6 names

2-Propenoic acid, 1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester
Acrylic acid, 1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester
Acrylic acid, tetrafluoro-1-(trifluoromethyl)ethyl ester
2-Propanol, 1,1,1,2,3,3,3-heptafluoro-, acrylate
1,1,1,2,3,3,3-Heptafluoropropan-2-yl prop-2-enoate
1,2,2,2-Tetrafluoro-1-(trifluoromethyl)ethyl acrylate

Work with Heptafluoroisopropyl acrylate

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

1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl prop-2-enoate53038-41-861 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-552 % similar tert-Butyl acrylate1663-39-450 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-647 % similar Hexafluoroisopropyl acrylate2160-89-645 % similar 2,2,2-Trifluoroethyl acrylate407-47-645 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl acrylate307-98-245 % similar Acrylic anhydride2051-76-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2H-Perfluoroisopropyl 2-fluoroacrylate74359-06-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook