Chlorodifluoroacetamide

C₂H₂ClF₂NOCAS 354-28-9129.49 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₂H₂ClF₂NO
Molar mass: 129.49 g/mol
Exact mass: 128.9793 Da
Melting point: 78.5 °C
Boiling point: 93 °C (at 18 Torr)
logP: 1.35Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90.5% of notifiers
H312 Harmful in contact with skin90.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled90.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

354-28-9

SMILES

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

InChIKey

PSAKKOKLSDIKEK-UHFFFAOYSA-N

InChI

InChI=1S/C2H2ClF2NO/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

3 names

Acetamide, 2-chloro-2,2-difluoro-
2-Chloro-2,2-difluoroacetamide
NSC 9448

Work with Chlorodifluoroacetamide

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

Trifluoroacetamide354-38-150 % similar 2,2,3,3-Tetrafluorobutanediamide377-37-750 % similar Trichloroacetamide594-65-050 % similar 2,2,3,3,3-Pentafluoropropanamide354-76-744 % similar Chlorodifluoroacetic acid76-04-044 % similar Heptafluorobutyramide662-50-039 % similar 1,3-Dichlorotetrafluoroacetone127-21-938 % similar Dibromomalonamide73003-80-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook