Ethyl 4,4,4-trifluorobutyrate
Properties
- Molecular formula
- C6H9F3O2
- Molar mass
- 170.13 g/mol
- Exact mass
- 170.0555 Da
- logP
- 1.89Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed86.7% of notifiers
- H312 Harmful in contact with skin86.7% of notifiers
- H315 Causes skin irritation13.3% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled86.7% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
371-26-6SMILES
CCOC(=O)CCC(F)(F)FInChIKey
PSRZMXNNQTWAGB-UHFFFAOYSA-NInChI
InChI=1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Ethyl 4,4,4-trifluorobutyrate
Similar compounds
4,4-Difluoroheptanedioic acid diethyl ester22515-16-872 % similar
Ethyl 3,3,3-trifluoropropionate352-23-866 % similar
Diethyl succinate123-25-162 % similar
Diethyl glutarate818-38-259 % similar
Diethyl adipate141-28-657 % similar
Ethyl butyrate105-54-455 % similar
Diethyl sebacate110-40-755 % similar
Diethyl pimelate2050-20-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.