chempirical

2-(Trifluoromethyl)quinoline

C10H6F3NCAS 347-42-2197.16 g/mol

Open in Covalent MOL file
NFFF
Alkyl halide

Properties

Molecular formula
C10H6F3N
Molar mass
197.16 g/mol
Exact mass
197.0452 Da
logP
3.25Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
347-42-2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(F)(F)F
InChIKey
YZSRICFIQLVSMQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H

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Names and synonyms

1 names
  • 2-Trifluoromethylquinoline

Work with 2-(Trifluoromethyl)quinoline

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

2-(Tribromomethyl)quinoline613-53-660 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-552 % similar 2,2′-Biquinoline119-91-550 % similar 2-Chloroquinoline612-62-450 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-247 % similar 2-Bromoquinoline2005-43-845 % similar 2-Quinolone59-31-445 % similar Quinaldine91-63-445 % similar

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

Same formula

7-(Trifluoromethyl)quinoline325-14-4

Elsewhere

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