chempirical

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

C12H8F16O2CAS 125370-60-7488.17 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFFFFF
Alkyl halideEpoxideEther

Properties

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

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-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 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate2993-85-347 % similar 1H,1H,9H-Hexadecafluorononyl acrylate4180-26-147 % similar 1H,1H,11H-Eicosafluoroundecyl acrylate4998-38-347 % similar 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane336-07-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook