Trifluoroacetic acid-d

C₂DF₃O₂CAS 599-00-8115.03 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₂DF₃O₂
Molar mass: 115.03 g/mol
Exact mass: 114.9991 Da
logP: 0.63Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled97.9% of notifiers
H412 Harmful to aquatic life with long lasting effects10.4% of notifiers

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

Precautionary statements

P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

599-00-8

SMILES

[2H]OC(=O)C(F)(F)F

InChIKey

DTQVDTLACAAQTR-DYCDLGHISA-N

InChI

InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD

Weigh it out

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

Names and synonyms

10 names

Acetic acid-d, 2,2,2-trifluoro-
Acetic acid-d, trifluoro-
2,2,2-Trifluoroacetic acid-d
Trifluoroacetic acid-carboxy-d
Deuterotrifluoroacetic acid
Trifluoroacetic acid-d1
Deuteriotrifluoroacetic acid
[2H]Trifluoroacetic acid
Trifluoroacetic acid (CF3COOD)
2,2,2-Trifluoroacetic acid-d1

Work with Trifluoroacetic acid-d

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Trifluoroacetic acid76-05-1Unlabelled Sodium trifluoroacetate2923-18-4Salt, unlabelled Silver trifluoroacetate2966-50-9Salt, unlabelled Mercuric trifluoroacetate13257-51-7Salt, unlabelled Lithium trifluoroacetate2923-17-3Salt, unlabelled N-Methylanilinium trifluoroacetate29885-95-8Salt, unlabelled Pyridinium trifluoroacetate464-05-1Salt, unlabelled Thallium(III) trifluoroacetate23586-53-0Salt, unlabelled Potassium trifluoroacetate2923-16-2Salt, unlabelled Copper(II) trifluoroacetate hydrate123333-88-0Salt, unlabelled LL-37 (human) trifluoroacetate salt597562-32-8Salt, unlabelled 1-(4-Fluoro-benzyl)-piperazine trifluoroacetate435345-45-2Salt, unlabelled

Similar compounds

1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol38701-74-544 % similar Hexafluoroacetone684-16-244 % similar Hexafluoroacetylacetone1522-22-138 % similar Hexafluoroacetone trihydrate34202-69-238 % similar Trifluoroacetyl chloride354-32-538 % similar Trifluoroacetic anhydride407-25-038 % similar Trifluoroacetone421-50-138 % similar 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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