7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C10H10F3NCAS 450-62-4201.19 g/mol

Open in Covalent MOL file
FFFNH
Alkyl halideSecondary amine

Properties

Molecular formula
C10H10F3N
Molar mass
201.19 g/mol
Exact mass
201.0765 Da
logP
3.06Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
450-62-4
SMILES
C1CC2=C(C=C(C=C2)C(F)(F)F)NC1
InChIKey
RGZZKZNESVFQKR-UHFFFAOYSA-N
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6,14H,1-2,5H2

Weigh it out

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

Work with 7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline

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-(Trifluoromethyl)indoline181513-29-183 % similar 5-(Trifluoromethyl)-2,3-dihydro-1H-indole162100-55-262 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-351 % similar 1,2,3,4-Tetrahydroquinolin-7-amine153856-89-451 % similar 7-Hydroxy-1,2,3,4-tetrahydroquinoline58196-33-151 % similar 6-Trifluoromethyloxindole1735-89-348 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-048 % similar Tetrahydroquinoline635-46-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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