1,1,1-Trichloro-3,3,3-trifluoro-2-propanone

C₃Cl₃F₃OCAS 758-42-9215.38 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃Cl₃F₃O
Molar mass: 215.38 g/mol
Exact mass: 213.8967 Da
Boiling point: 83.5–84.5 °C
logP: 2.49Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H330 Fatal if inhaled100% of notifiers

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

Precautionary statements

P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

758-42-9

SMILES

O=C(C(F)(F)F)C(Cl)(Cl)Cl

InChIKey

AVTAIKNWAIKGEV-UHFFFAOYSA-N

InChI

InChI=1S/C3Cl3F3O/c4-2(5,6)1(10)3(7,8)9

Weigh it out

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

Names and synonyms

4 names

2-Propanone, 1,1,1-trichloro-3,3,3-trifluoro-
1,1,1-Trichloro-3,3,3-trifluoroacetone
3,3,3-Trichloro-1,1,1-trifluoroacetone
1,1,1-Trichlorotrifluoroacetone

Work with 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone

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

Hexachloroacetone116-16-561 % similar Hexafluoroacetone684-16-261 % similar 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone79-53-859 % similar Hexafluoroacetone trihydrate34202-69-252 % similar Bromopentafluoroacetone815-23-646 % similar 1,3-Dichlorotetrafluoroacetone127-21-945 % similar 1,1,3,3-Tetrachloro-1,3-difluoro-2-propanone79-51-645 % similar Trifluoroacetyl chloride354-32-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1,3-Trichlorotrifluoroacetone79-52-7

Elsewhere

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