chempirical

4-Hydroxy-3-(trifluoromethyl)benzonitrile

C8H4F3NOCAS 124811-71-8187.12 g/mol

Open in Covalent MOL file
NFFFOH
Alkyl halideNitrilePhenol

Properties

Molecular formula
C8H4F3NO
Molar mass
187.12 g/mol
Exact mass
187.0245 Da
logP
2.28Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
124811-71-8
SMILES
C1=CC(=C(C=C1C#N)C(F)(F)F)O
InChIKey
QXIFYONUKBXFTH-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F3NO/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3,13H

Weigh it out

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

Work with 4-Hydroxy-3-(trifluoromethyl)benzonitrile

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

4-Chloro-3-(trifluoromethyl)benzonitrile1735-54-260 % similar 3,4-Dihydroxybenzonitrile17345-61-858 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 3-Chloro-4-(trifluoromethyl)benzonitrile1092460-79-156 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-555 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-753 % similar 3-Bromo-4-hydroxybenzonitrile2315-86-851 % similar 2-(Trifluoromethyl)phenol444-30-450 % similar

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

Same formula

4-(Trifluoromethyl)phenyl isocyanate1548-13-6 2-(Trifluoromethyl)phenyl isocyanate2285-12-3 3-(Trifluoromethyl)phenyl isocyanate329-01-1 4-(Trifluoromethoxy)benzonitrile332-25-2 2-(Trifluoromethoxy)benzonitrile63968-85-4

Elsewhere

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