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

C₇H₅F₇O₂CAS 424-64-6254.10 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₇H₅F₇O₂
Molar mass: 254.10 g/mol
Exact mass: 254.0178 Da
Density: 1.455 g/mL (at 20 °C)
Boiling point: 43 °C (at 40 Torr)
logP: 2.55Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed86.7% of notifiers
H312 Harmful in contact with skin86.7% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled86.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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

424-64-6

SMILES

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

InChIKey

PLXOUIVCSUBZIX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2

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

Names and synonyms

11 names

2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Acrylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, acrylate
1,1-Dihydroheptafluorobutyl acrylate
1,1-Dihydroperfluorobutyl acrylate
1H,1H-Heptafluorobutyl acrylate
BF 1 (ester)
α,α-Dihydroperfluorobutyl acrylate
BF 1
2,2,3,3,4,4,4-Heptafluorobutyl acrylate
2,2,3,3,4,4,4-Heptafluorobutyl prop-2-enoate

Work with 2,2,3,3,4,4,4-Heptafluorobutyl 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 acrylate307-98-288 % similar 1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate2264-01-983 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-577 % similar 1H,1H,5H-Octafluoropentyl acrylate376-84-168 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate52591-27-265 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate2993-85-364 % similar 1H,1H,9H-Hexadecafluorononyl acrylate4180-26-164 % similar 1H,1H,11H-Eicosafluoroundecyl acrylate4998-38-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione356-30-9

Elsewhere

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