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

C9H8F3NCAS 162100-55-2187.17 g/mol

Open in Covalent MOL file
HNFFF
Alkyl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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

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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

7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline450-62-462 % similar 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-Methylindoline65826-95-150 % similar 5-(Trifluoromethyl)oxindole71293-62-449 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-446 % 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