3-(1H,1H,9H-Hexadecafluorononyloxy)-1,2-epoxypropane

C₁₂H₈F₁₆O₂CAS 125370-60-7488.17 g/mol

Open in Covalent MOL file

Alkyl halide Epoxide Ether

Properties

Molecular formula: C₁₂H₈F₁₆O₂
Molar mass: 488.17 g/mol
Exact mass: 488.0269 Da
logP: 5.11Crippen estimate
Polar surface area: 21.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 11

Hazards

Danger

H302+H332 Harmful if swallowed or if inhaled100% of notifiers
H302 Harmful if swallowed100% of notifiers
H332 Harmful if inhaled100% of notifiers
H351 Suspected of causing cancer100% of notifiers
H360D May damage the unborn child100% of notifiers
H362 May cause harm to breast-fed children100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P203, P260, P261, P263, P264, P270, P271, P280, P301+P317, P304+P340, P317, P318, P319, P330, P405, P501

Identifiers

CAS number

125370-60-7

SMILES

C1C(O1)COCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChIKey

AVKVPTNDWAGIMH-UHFFFAOYSA-N

InChI

InChI=1S/C12H8F16O2/c13-5(14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)3-29-1-4-2-30-4/h4-5H,1-3H2

Weigh it out

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

Work with 3-(1H,1H,9H-Hexadecafluorononyloxy)-1,2-epoxypropane

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-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptoxymethyl)oxirane799-34-8100 % similar 3-(1H,1H,5H-Octafluoropentyloxy)-1,2-epoxypropane19932-27-588 % similar 2-[(2,2,3,3-Tetrafluoropropoxy)methyl]oxirane19932-26-453 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoro-1-undecanol307-70-051 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol335-99-951 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol376-18-151 % similar 1H,1H,7H-Dodecafluoroheptyl iodide376-32-951 % similar 1H,1H,13H-Perfluorotridecan-1-ol423-72-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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