1,1,7-Trihydrododecafluoroheptyl methacrylate

C₁₁H₈F₁₂O₂CAS 2261-99-6400.16 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₁₁H₈F₁₂O₂
Molar mass: 400.16 g/mol
Exact mass: 400.0333 Da
Boiling point: 112 °C (at 40 Torr)
logP: 4.55Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H330 Fatal if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2261-99-6

SMILES

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

InChIKey

YJKHMSPWWGBKTN-UHFFFAOYSA-N

InChI

InChI=1S/C11H8F12O2/c1-4(2)5(24)25-3-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h6H,1,3H2,2H3

Weigh it out

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

Names and synonyms

9 names

2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
Methacrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, methacrylate
α,α,ω-Trihydroperfluoroheptyl methacrylate
1H,1H,7H-Dodecafluoroheptyl methacrylate
M 5610
1H,1H,7H-Perfluoroheptyl methacrylate
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl 2-methylprop-2-enoate
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl methacrylate

Work with 1,1,7-Trihydrododecafluoroheptyl methacrylate

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

1H,1H,9H-Hexadecafluorononyl methacrylate1841-46-9100 % similar 1H,1H,11H-Eicosafluoroundecyl methacrylate41123-44-8100 % similar Octafluoropentyl methacrylate355-93-189 % similar 1,1,5,5-Tetrahydroperfluoropentyl-1,5-dimethacrylate918-36-571 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-methyl-2-propenoate3934-23-471 % similar 2,2,3,3,4,4,4-Heptafluorobutyl 2-methyl-2-propenoate13695-31-366 % similar 2,2,3,3-Tetrafluoropropyl methacrylate45102-52-162 % similar 2,2,3,3,3-Pentafluoropropyl methacrylate45115-53-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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