chempirical

(S)-(+)-Alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride

C10H8ClF3O2CAS 20445-33-4252.62 g/mol

Open in Covalent MOL file
OOClFFF
Acyl halideAlkyl halideEther

Properties

Molecular formula
C10H8ClF3O2
Molar mass
252.62 g/mol
Exact mass
252.0165 Da
logP
2.86Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
20445-33-4
SMILES
CO[C@](C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
InChIKey
PAORVUMOXXAMPL-SECBINFHSA-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/t9-/m1/s1

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Names and synonyms

1 names
  • Alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, (S)-(+)-

Work with (S)-(+)-Alpha-methoxy-alpha-trifluoromethylphenylacetyl 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

(S)-Methoxy(trifluoromethyl)phenylacetic acid17257-71-566 % similar (R)-α-Methoxy-α-(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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