6-(Trifluoromethyl)indoline

C₉H₈F₃NCAS 181513-29-1187.17 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₉H₈F₃N
Molar mass: 187.17 g/mol
Exact mass: 187.0609 Da
logP: 2.67Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H411 Toxic to aquatic life with long lasting effects97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

181513-29-1

SMILES

C1CNC2=C1C=CC(=C2)C(F)(F)F

InChIKey

WWBVZCBWSHFMLP-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-2,5,13H,3-4H2

Weigh it out

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

Work with 6-(Trifluoromethyl)indoline

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

7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline450-62-483 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-053 % similar 6-Trifluoromethyloxindole1735-89-349 % similar Indoline496-15-144 % similar 2,4-Bis(trifluoromethyl)benzyl bromide140690-56-843 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-043 % similar 2,4-Bis(trifluoromethyl)benzyl chloride195136-46-043 % similar 6-Nitroindoline19727-83-443 % similar

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

Same formula

5-(Trifluoromethyl)-2,3-dihydro-1H-indole162100-55-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook