Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C6H5F7O2CAS 356-27-4242.09 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C6H5F7O2
Molar mass
242.09 g/mol
Exact mass
242.0178 Da
Density
1.4 g/mL
Boiling point
95 °C
logP
2.38Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
356-27-4
SMILES
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JVHJRIQPDBCRRE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3

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Names and synonyms

9 names
  • Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
  • Butyric acid, heptafluoro-, ethyl ester
  • Butanoic acid, heptafluoro-, ethyl ester
  • Ethyl perfluorobutyrate
  • Ethyl heptafluorobutyrate
  • Ethyl heptafluorobutanoate
  • Ethyl perfluorobutanoate
  • NSC 3639
  • Ethyl 2,2,3,3,4,4,4-heptafluorobutyrate

Work with Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

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

Ethyl perfluoropentanoate424-36-290 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-787 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-587 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-087 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-882 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-376 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-971 % similar Butyl 2,2,3,3,4,4,4-heptafluorobutanoate1559-07-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4,5,5,6,6,6-Heptafluorohexanoic acid356-02-5

Elsewhere

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