chempirical

1-Chloro-1,1,2,2,3,3,4,4,4-nonafluorobutane

C4ClF9CAS 558-89-4254.48 g/mol

Open in Covalent MOL file
FFFFFFFFFCl
Alkyl halide

Properties

Molecular formula
C4ClF9
Molar mass
254.48 g/mol
Exact mass
253.9545 Da
Boiling point
30 °C
logP
3.65Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
558-89-4
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIKey
GIUDNRMHWCAPGM-UHFFFAOYSA-N
InChI
InChI=1S/C4ClF9/c5-3(10,11)1(6,7)2(8,9)4(12,13)14

Weigh it out

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

Names and synonyms

4 names
  • Butane, 1-chlorononafluoro-
  • Perfluorobutyl chloride
  • 1-Chlorononafluorobutane
  • Butane, 1-chloro-1,1,2,2,3,3,4,4,4-nonafluoro-

Work with 1-Chloro-1,1,2,2,3,3,4,4,4-nonafluorobutane

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

1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane662-01-165 % similar Perfluorobutane355-25-956 % similar Chloropentafluoroethane76-15-356 % similar Perfluorooctane307-34-653 % similar Perfluorododecane307-59-553 % 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-Triacontafluorotetradecane307-62-053 % similar Perfluoroheptane335-57-953 % similar Perfluorohexane355-42-053 % similar

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

Elsewhere

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