3,3,3-Trifluoropropanal

C₃H₃F₃OCAS 460-40-2112.05 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₃H₃F₃O
Molar mass: 112.05 g/mol
Exact mass: 112.0136 Da
Density: 1.365 g/mL (at 20 °C)
Boiling point: 56–56.5 °C (at 745 Torr)
logP: 1.14Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor20% of notifiers
H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation60% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation40% of notifiers

Aggregated from 5 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

460-40-2

SMILES

O=CCC(F)(F)F

InChIKey

UTMIEQASUFFADK-UHFFFAOYSA-N

InChI

InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2

Weigh it out

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

Names and synonyms

3 names

Propanal, 3,3,3-trifluoro-
Propionaldehyde, 3,3,3-trifluoro-
3,3,3-Trifluoropropionaldehyde

Work with 3,3,3-Trifluoropropanal

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

3,3-Dimethylbutanal2987-16-843 % similar 2,2,2-Trifluoroethyl formate32042-38-938 % similar Fluoroacetaldehyde1544-46-335 % similar Succinaldehyde638-37-933 % similar 1,1,1,3,3,3-Hexafluoropropane690-39-133 % similar Hexanedial1072-21-530 % similar Glutaraldehyde111-30-830 % similar 1,1,1,2-Tetrafluoroethane811-97-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethyl)oxirane359-41-1 Trifluoroacetone421-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook