chempirical

2-Bromo-1,1,1,2,3,3,3-heptafluoropropane

C3BrF7CAS 422-77-5248.93 g/mol

Open in Covalent MOL file
FFFFBrFFF
Alkyl halide

Properties

Molecular formula
C3BrF7
Molar mass
248.93 g/mol
Exact mass
247.9072 Da
Boiling point
15–16 °C
logP
3.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
422-77-5
SMILES
FC(F)(F)C(F)(Br)C(F)(F)F
InChIKey
SULCAUVYSILBCB-UHFFFAOYSA-N
InChI
InChI=1S/C3BrF7/c4-1(5,2(6,7)8)3(9,10)11

Weigh it out

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

Names and synonyms

5 names
  • Propane, 2-bromo-1,1,1,2,3,3,3-heptafluoro-
  • Propane, 2-bromoheptafluoro-
  • Perfluoroisopropyl bromide
  • Heptafluoroisopropyl bromide
  • 2-Bromoheptafluoropropane

Work with 2-Bromo-1,1,1,2,3,3,3-heptafluoropropane

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

1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane661-95-065 % similar 1,1-Dibromo-1,2,2,2-tetrafluoroethane27336-23-841 % similar Perfluorobutane355-25-940 % similar Hexafluoroethane76-16-438 % similar Perfluorooctane307-34-638 % similar Perfluorododecane307-59-538 % 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-Triacontafluorotetradecane307-62-038 % similar Perfluoroheptane335-57-938 % similar

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

Same formula

1-Bromo-1,1,2,2,3,3,3-heptafluoropropane422-85-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook