chempirical

6-(Trifluoromethyl)-4-quinolinol

C10H6F3NOCAS 49713-51-1213.16 g/mol

Open in Covalent MOL file
ONHFFF
Alkyl halide

Properties

Molecular formula
C10H6F3NO
Molar mass
213.16 g/mol
Exact mass
213.0401 Da
logP
2.55Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
49713-51-1
SMILES
O=c1cc[nH]c2ccc(C(F)(F)F)cc12
InChIKey
CEIVPELVRVTMJW-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)

Weigh it out

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

Names and synonyms

2 names
  • 4-Quinolinol, 6-(trifluoromethyl)-
  • 4-Hydroxy-6-(trifluoromethyl)quinoline

Work with 6-(Trifluoromethyl)-4-quinolinol

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

6-(Trifluoromethoxy)-4-quinolinol175203-87-959 % similar 5-(Trifluoromethyl)-1H-indole100846-24-057 % similar 7-(Trifluoromethyl)-4-quinolinethiol64415-07-250 % similar 4-Hydroxyquinoline611-36-949 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-744 % similar 6,7-Dimethoxy-4-hydroxyquinoline13425-93-944 % similar 7-Bromo-4-hydroxyquinoline82121-06-043 % similar 7-Chloro-4-hydroxyquinoline86-99-743 % similar

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

Same formula

3-(Trifluoroacetyl)indole14618-45-2 8-(Trifluoromethyl)-4-quinolinol23779-96-6 4-(Trifluoromethyl)-2(1H)-quinolinone25199-84-2 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-4

Elsewhere

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