2,2,3,3,4,4,4-Heptafluorobutyl 2-methyl-2-propenoate

C₈H₇F₇O₂CAS 13695-31-3268.13 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₈H₇F₇O₂
Molar mass: 268.13 g/mol
Exact mass: 268.0334 Da
Boiling point: 55–56 °C (at 30 Torr)
logP: 2.94Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor91.3% of notifiers
H302 Harmful if swallowed84.8% of notifiers
H312 Harmful in contact with skin84.8% of notifiers
H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled84.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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

13695-31-3

SMILES

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

InChIKey

VIEHKBXCWMMOOU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3

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

Names and synonyms

7 names

2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
Methacrylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, methacrylate
2,2,3,3,4,4,4-Heptafluorobutyl methacrylate
2,2,3,3,4,4,4-Hexafluorobutyl methacrylate
1H,1H-Heptafluorobutyl methacrylate
2,2,3,3,4,4,4-Heptafluorobutyl 2-methylprop-2-enoate

Work with 2,2,3,3,4,4,4-Heptafluorobutyl 2-methyl-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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-methyl-2-propenoate3934-23-488 % similar 1,1,5,5-Tetrahydroperfluoropentyl-1,5-dimethacrylate918-36-584 % similar 2,2,3,3,3-Pentafluoropropyl methacrylate45115-53-579 % similar Octafluoropentyl methacrylate355-93-169 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate1799-84-467 % similar 1H,1H,9H-Hexadecafluorononyl methacrylate1841-46-966 % similar 1,1,7-Trihydrododecafluoroheptyl methacrylate2261-99-666 % similar 1H,1H,11H-Eicosafluoroundecyl methacrylate41123-44-866 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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