Trifluoroacetaldehyde ethyl hemiacetal

C₄H₇F₃O₂CAS 433-27-2144.09 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₄H₇F₃O₂
Molar mass: 144.09 g/mol
Exact mass: 144.0398 Da
Density: 1.241 g/mL (at 20 °C)
Boiling point: 104–105 °C (at 746 Torr)
logP: 0.90Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor97.9% of notifiers
H302 Harmful if swallowed18.8% of notifiers
H315 Causes skin irritation14.6% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

433-27-2

SMILES

CCOC(O)C(F)(F)F

InChIKey

KLXJPQNHFFMLIG-UHFFFAOYSA-N

InChI

InChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names

Ethanol, 1-ethoxy-2,2,2-trifluoro-
1-Ethoxy-2,2,2-trifluoroethanol
Fluoral ethyl hemiacetal
NSC 65431
1-Ethoxy-2,2,2-trifluoroethan-1-ol

Work with Trifluoroacetaldehyde ethyl hemiacetal

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trifluoroacetaldehyde methyl hemiacetal431-46-950 % similar 1-Ethoxy-2,2-difluoroethanol148992-43-241 % similar Ethyl 4,4,4-trifluoro-3-hydroxybutanoate372-30-539 % similar Ethyl 1,1,2,3,3,3-hexafluoropropyl ether380-34-739 % similar Triethyl orthoformate122-51-038 % similar Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate91600-33-837 % similar 2,2-Diethoxyethanol621-63-636 % similar 1,1-Diethoxyethane105-57-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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