Ethyl 2,2,3,3,3-pentafluoropropanoate
Properties
- Molecular formula
- C5H5F5O2
- Molar mass
- 192.09 g/mol
- Exact mass
- 192.0210 Da
- Density
- 1.289 g/mL (at 20 °C)
- Melting point
- 75.5 °C
- Boiling point
- 73 °C
- logP
- 1.75Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation95.9% of notifiers
- H319 Causes serious eye irritation95.9% of notifiers
- H335 May cause respiratory irritation93.9% of notifiers
Aggregated from 49 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
426-65-3SMILES
CCOC(=O)C(F)(F)C(F)(F)FInChIKey
DBOFMRQAMAZKQY-UHFFFAOYSA-NInChI
InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester
- Propionic acid, pentafluoro-, ethyl ester
- Propanoic acid, pentafluoro-, ethyl ester
- Ethyl pentafluoropropionate
- Ethyl perfluoropropionate
- Pentafluoropropanoic acid ethyl ester
- Ethyl pentafluoropropanoate
- Ethyl 2,2,3,3,3-pentafluoropropionate
Work with Ethyl 2,2,3,3,3-pentafluoropropanoate
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
1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-980 % similar
Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-476 % similar
Ethyl perfluoropentanoate424-36-273 % similar
1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-871 % similar
Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-771 % similar
Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-571 % similar
Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-071 % similar
Ethyl trifluoroacetate383-63-161 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.