Bromodifluoroacetamide

C₂H₂BrF₂NOCAS 2169-67-7173.94 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₂H₂BrF₂NO
Molar mass: 173.94 g/mol
Exact mass: 172.9288 Da
logP: 0.46Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

2169-67-7

SMILES

C(=O)(C(F)(F)Br)N

InChIKey

BIWAMAZWCUQBBR-UHFFFAOYSA-N

InChI

InChI=1S/C2H2BrF2NO/c3-2(4,5)1(6)7/h(H2,6,7)

Weigh it out

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

Names and synonyms

1 names

2-Bromo-2,2-difluoroacetamide

Work with Bromodifluoroacetamide

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

Bromodifluoroacetyl bromide1796-12-946 % similar Bromo(difluoro)acetyl fluoride38126-07-746 % similar 2-Bromo-2,2-difluoroacetic acid354-08-544 % similar Bromodifluoroacetyl chloride3832-48-244 % similar Hexafluoroglutaramide507-68-644 % similar 2-Bromo-2-methylpropanamide7462-74-044 % similar Bromopentafluoroacetone815-23-644 % similar 2,2-Difluoro-2-phenylacetamide383-19-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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