chempirical

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Dotetracontafluoroeicosane

C20F42CAS 37589-57-41038.15 g/mol

Open in Covalent MOL file
FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF
Alkyl halide

Properties

Molecular formula
C20F42
Molar mass
1038.15 g/mol
Exact mass
1037.9329 Da
Melting point
120 °C
Boiling point
60–80 °C
logP
13.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
17

Identifiers

CAS number
37589-57-4
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)C(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)C(F)(F)C(F)(F)F
InChIKey
WSXNCJNDCDTRSA-UHFFFAOYSA-N
InChI
InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62

Weigh it out

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

Names and synonyms

3 names
  • Eicosane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-dotetracontafluoro-
  • Eicosane, dotetracontafluoro-
  • Perfluoroeicosane

Work with 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Dotetracontafluoroeicosane

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

Perfluorooctane307-34-6100 % similar Perfluorododecane307-59-5100 % 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-Triacontafluorotetradecane307-62-0100 % similar Perfluoroheptane335-57-9100 % similar Perfluorohexane355-42-0100 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Tetratriacontafluorohexadecane355-49-7100 % similar Perfluorobutane355-25-990 % similar Octafluoropropane76-19-773 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook