(+/-)-1-Methoxy-1-(trifluoromethyl)phenylacetyl chloride

C₁₀H₈ClF₃O₂CAS 64312-89-6252.62 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Ether

Properties

Molecular formula: C₁₀H₈ClF₃O₂
Molar mass: 252.62 g/mol
Exact mass: 252.0165 Da
logP: 2.86Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

64312-89-6

SMILES

COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F

InChIKey

PAORVUMOXXAMPL-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

1 names

Alpha-Methoxy-alpha-trifluoromethylphenylacetyl chloride

Work with (+/-)-1-Methoxy-1-(trifluoromethyl)phenylacetyl 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

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.

(S)-(+)-Alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride20445-33-4Defined stereoisomer

Similar compounds

(S)-Methoxy(trifluoromethyl)phenylacetic acid17257-71-566 % similar (R)-Alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid20445-31-266 % similar Mosher's acid81655-41-666 % similar α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile80866-87-144 % similar 2,2-Dimethoxy-2-phenylacetophenone24650-42-840 % similar 1,1′-(Dimethoxymethylene)bis[benzene]2235-01-040 % similar Trimethyl orthobenzoate707-07-339 % similar (1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene16878-50-537 % similar

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

Elsewhere

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