chempirical

1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

C7BrF15CAS 375-88-2448.96 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFFFBr
Alkyl halide

Properties

Molecular formula
C7BrF15
Molar mass
448.96 g/mol
Exact mass
447.8944 Da
Boiling point
118 °C
logP
5.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
375-88-2
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIKey
VPQQZKWYZYVTMU-UHFFFAOYSA-N
InChI
InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23

Weigh it out

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

Names and synonyms

6 names
  • Heptane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
  • Heptane, 1-bromopentadecafluoro-
  • Pentadecafluoro-1-bromoheptane
  • 1-Bromopentadecafluoroheptane
  • Perfluoroheptyl bromide
  • 1-Bromoperfluoroheptane

Work with 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

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 Perfluorooctyl bromide423-55-2100 % similar 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane558-96-3100 % 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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