chempirical

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Tetratriacontafluorohexadecane

C16F34CAS 355-49-7838.12 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C16F34
Molar mass
838.12 g/mol
Exact mass
837.9457 Da
Melting point
125–126 °C
Boiling point
238–240 °C
logP
11.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
13

Identifiers

CAS number
355-49-7
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)F
InChIKey
AQPUCGPFMVEJGS-UHFFFAOYSA-N
InChI
InChI=1S/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50

Weigh it out

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

Names and synonyms

4 names
  • Hexadecane, 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-tetratriacontafluoro-
  • Hexadecane, tetratriacontafluoro-
  • Perfluorohexadecane
  • Perfluoro-n-hexadecane

Work with 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Tetratriacontafluorohexadecane

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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Dotetracontafluoroeicosane37589-57-4100 % 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