chempirical

α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile

C10H8F3NOCAS 80866-87-1215.18 g/mol

Open in Covalent MOL file
ONFFF
Alkyl halideEtherNitrile

Properties

Molecular formula
C10H8F3NO
Molar mass
215.18 g/mol
Exact mass
215.0558 Da
logP
2.61Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
80866-87-1
SMILES
COC(C#N)(c1ccccc1)C(F)(F)F
InChIKey
UBOJBAYKXZRZHI-UHFFFAOYSA-N
InChI
InChI=1S/C10H8F3NO/c1-15-9(7-14,10(11,12)13)8-5-3-2-4-6-8/h2-6H,1H3

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Names and synonyms

2 names
  • Benzeneacetonitrile, α-methoxy-α-(trifluoromethyl)-
  • 3,3,3-Trifluoro-2-methoxy-2-phenylpropanenitrile

Work with α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile

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

1,1′-(Dimethoxymethylene)bis[benzene]2235-01-047 % similar Trimethyl orthobenzoate707-07-345 % similar (S)-Methoxy(trifluoromethyl)phenylacetic acid17257-71-545 % similar (R)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid20445-31-245 % similar Mosher'S acid81655-41-645 % similar α-Methyl-α-phenylbenzeneacetonitrile5558-67-842 % similar α,α-Bis(trifluoromethyl)benzenemethanol718-64-938 % similar 1-Phenylcyclopropanecarbonitrile935-44-438 % similar

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

Elsewhere

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