Ethyl trifluoroacetate
Properties
- Molecular formula
- C4H5F3O2
- Molar mass
- 142.08 g/mol
- Exact mass
- 142.0242 Da
- Density
- 1.1952 g/mL (at 16.7 °C)
- Boiling point
- 61 °C
- logP
- 1.11Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor99.5% of notifiers
- H302 Harmful if swallowed23% of notifiers
- H315 Causes skin irritation24.1% of notifiers
- H318 Causes serious eye damage25.1% of notifiers
- H319 Causes serious eye irritation69.6% of notifiers
- H335 May cause respiratory irritation24.1% of notifiers
- H412 Harmful to aquatic life with long lasting effects69.6% of notifiers
Aggregated from 191 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, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
383-63-1SMILES
CCOC(=O)C(F)(F)FInChIKey
STSCVKRWJPWALQ-UHFFFAOYSA-NInChI
InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Acetic acid, 2,2,2-trifluoro-, ethyl ester
- Acetic acid, trifluoro-, ethyl ester
- Ethyl perfluoroacetate
- Trifluoroacetic acid ethyl ester
- NSC 220215
- Ethyl α,α,α-trifluoroacetate
- Ethyl 2,2,2-trifluoroacetate
- 7: PN: WO2007101224 PAGE: 36 claimed sequence
Work with Ethyl trifluoroacetate
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-tetrafluorobutanedioate377-71-968 % similar
Diethyl 2,2-difluoromalonate680-65-968 % similar
2,2-Difluoropropionic acid ethyl ester28781-85-363 % similar
Ethyl 2-chloro-2,2-difluoroacetate383-62-061 % similar
1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-861 % similar
Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-361 % similar
Ethyl 2,2-dibromo-2-fluoroacetate565-53-761 % similar
Ethyl bromodifluoroacetate667-27-661 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.