chempirical

2,3-Dichloro-1,1,1,2,3,4,4,4-octafluorobutane

C4Cl2F8CAS 355-20-4270.93 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C4Cl2F8
Molar mass
270.93 g/mol
Exact mass
269.9249 Da
Density
1.6801 g/mL (at 20 °C)
Melting point
−68 °C
Boiling point
63 °C
logP
3.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
355-20-4
SMILES
FC(F)(F)C(F)(Cl)C(F)(Cl)C(F)(F)F
InChIKey
LXANZHXWGZWFAC-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl2F8/c5-1(7,3(9,10)11)2(6,8)4(12,13)14

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Names and synonyms

6 names
  • Butane, 2,3-dichloro-1,1,1,2,3,4,4,4-octafluoro-
  • Butane, 2,3-dichlorooctafluoro-
  • 2,3-Dichlorooctafluorobutane
  • 1,1,1,2,3,4,4,4-Octafluoro-2,3-dichlorobutane
  • 2,3-Dichloroperfluorobutane
  • NSC 76604

Work with 2,3-Dichloro-1,1,1,2,3,4,4,4-octafluorobutane

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

2,2,3-Trichloro-1,1,1,3,4,4,4-heptafluorobutane335-44-465 % similar 1,2-Dichlorohexafluorocyclobutane356-18-350 % similar 1,1,1-Trichloro-2,2,2-trifluoroethane354-58-544 % similar 2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane375-34-844 % similar Chloropentafluoroethane76-15-341 % similar Hexafluoroethane76-16-438 % similar 1,1,2-Trichloro-2,3,3-trifluorocyclobutane697-17-636 % similar 1-Chloro-1,1,2,2,3,3,4,4,4-nonafluorobutane558-89-433 % similar

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

Elsewhere

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