chempirical

1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane

C9BrF19CAS 558-96-3548.97 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFFFFFFFBr
Alkyl halide

Properties

Molecular formula
C9BrF19
Molar mass
548.97 g/mol
Exact mass
547.8880 Da
Boiling point
159 °C
logP
6.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
558-96-3
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIKey
OWIAIPIQXHPUHV-UHFFFAOYSA-N
InChI
InChI=1S/C9BrF19/c10-8(25,26)6(21,22)4(17,18)2(13,14)1(11,12)3(15,16)5(19,20)7(23,24)9(27,28)29

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

Names and synonyms

4 names
  • Nonane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-
  • Nonane, 1-bromononadecafluoro-
  • Perfluorononyl bromide
  • 1-Bromoperfluorononane

Work with 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromoperfluorohexane335-56-8100 % similar 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane375-88-2100 % similar Perfluorooctyl bromide423-55-2100 % similar 1-Bromo-1,1,2,2,3,3,3-heptafluoropropane422-85-582 % similar Perfluorooctane307-34-663 % similar Perfluorododecane307-59-563 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontafluorotetradecane307-62-063 % similar Perfluoroheptane335-57-963 % similar

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

Elsewhere

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