5-(Trifluoromethyl)-2,3-dihydro-1H-indole

C₉H₈F₃NCAS 162100-55-2187.17 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

Identifiers

CAS number

162100-55-2

SMILES

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

InChIKey

QUMDFCREMBCVGP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

5-Trifluoromethylindoline

Work with 5-(Trifluoromethyl)-2,3-dihydro-1H-indole

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

5-Fluoroindoline2343-22-855 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-053 % similar 5-Bromoindoline22190-33-650 % similar 5-Chloroindoline25658-80-450 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-446 % similar Indoline496-15-144 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-343 % similar 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-443 % similar

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

Same formula

6-(Trifluoromethyl)indoline181513-29-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook