chempirical

Heptafluorobutyric anhydride

C8F14O3CAS 336-59-4410.06 g/mol

Open in Covalent MOL file
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Acid anhydrideAlkyl halide

Properties

Molecular formula
C8F14O3
Molar mass
410.06 g/mol
Exact mass
409.9624 Da
Melting point
−43 °C
Boiling point
106.5 °C
logP
3.72Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
336-59-4
SMILES
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
UFFSXJKVKBQEHC-UHFFFAOYSA-N
InChI
InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22

Weigh it out

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

Names and synonyms

10 names
  • Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 1,1′-anhydride
  • Butyric acid, heptafluoro-, anhydride
  • Butanoic acid, heptafluoro-, anhydride
  • Perfluorobutyric anhydride
  • Heptafluorobutyric acid anhydride
  • Heptafluorobutyryl anhydride
  • Perfluorobutanoic anhydride
  • Heptafluorobutanoic anhydride
  • HFBA
  • 2,2,3,3,4,4,4-Heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate

Work with Heptafluorobutyric anhydride

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

3,3,4,4,5,5-Hexafluorodihydro-2H-pyran-2,6(3H)-dione376-68-177 % similar Pentafluoropropionic anhydride356-42-370 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-167 % similar 3,3,4,4-Tetrafluorodihydro-2,5-furandione699-30-964 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-460 % similar Methyl perfluoroheptanoate14312-89-157 % similar Methyl perfluorohexadecanoate165457-57-857 % similar Methyl perfluorotetradecanoate203302-99-257 % similar

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

Elsewhere

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