4-Amino-7-(trifluoromethyl)quinoline

C₁₀H₇F₃N₂CAS 243666-11-7212.18 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₁₀H₇F₃N₂
Molar mass: 212.18 g/mol
Exact mass: 212.0561 Da
logP: 2.84Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

243666-11-7

SMILES

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)N

InChIKey

QZOOIAOULGJTJI-UHFFFAOYSA-N

InChI

InChI=1S/C10H7F3N2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-5H,(H2,14,15)

Weigh it out

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

Work with 4-Amino-7-(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

4-Chloro-7-(trifluoromethyl)quinoline346-55-462 % similar 4-Amino-7-chloroquinoline1198-40-954 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-650 % similar 7-(Trifluoromethyl)quinoline325-14-450 % similar 3,4-Diaminobenzotrifluoride368-71-850 % similar 4-Chloro-6-(trifluoromethyl)quinoline49713-56-650 % similar 2,5-Bis(trifluoromethyl)aniline328-93-847 % similar 2,4-Bis(trifluoromethyl)aniline367-71-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-8-(trifluoromethyl)quinoline243977-15-3 TRIM25371-96-4 1-(3-Trifluoromethylphenyl)imidazole25371-97-5 1-(4-Trifluoromethylphenyl)imidazole25371-98-6

Elsewhere

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