2,2,2-Trifluoro-N-phenylacetimidoyl chloride

C₈H₅ClF₃NCAS 61881-19-4207.58 g/mol

Open in Covalent MOL file

Alkyl halide Imine

Properties

Molecular formula: C₈H₅ClF₃N
Molar mass: 207.58 g/mol
Exact mass: 207.0063 Da
logP: 3.52Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

61881-19-4

SMILES

C1=CC=C(C=C1)N=C(C(F)(F)F)Cl

InChIKey

UKKALSJSKAHGTL-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClF3N/c9-7(8(10,11)12)13-6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Work with 2,2,2-Trifluoro-N-phenylacetimidoyl chloride

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

2,2,2-Trifluoro-N-phenylacetamide404-24-057 % similar Phenylcarbylamine chloride622-44-650 % similar Chloroacetanilide587-65-538 % similar Acetanilide103-84-438 % similar Benzanilide93-98-138 % similar N,N′,N′′-Triphenylguanidine101-01-936 % similar N-Phenylbenzamidine1527-91-936 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-736 % similar

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

Elsewhere

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