2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride

C₄H₈ClF₃N₂OCAS 1171331-39-7192.57 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₄H₈ClF₃N₂O
Molar mass: 192.57 g/mol
Exact mass: 192.0277 Da
logP: 0.89Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation40% 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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1171331-39-7

SMILES

Cl.NCC(O)=NCC(F)(F)F

InChIKey

DBNFKWRZLGVLSH-UHFFFAOYSA-N

InChI

InChI=1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H

Weigh it out

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

Names and synonyms

1 names

Acetamide, 2-amino-N-(2,2,2-trifluoroethyl)-, hydrochloride (1:1)

Work with 2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride

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.

2-Amino-N-(2,2,2-trifluoroethyl)acetamide359821-38-8Free base

Similar compounds

Glycylglycine hydrochloride13059-60-449 % similar Glycylglycine556-50-340 % similar 3,3,3-Trifluoropropylamine hydrochloride2968-33-439 % similar Glycylglycylglycine556-33-238 % similar 2,2,2-Trifluoroethylamine hydrochloride373-88-637 % similar Glycinamide hydrochloride1668-10-633 % similar Glycine hydrochloride6000-43-733 % similar Glycylserine687-38-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook