2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine

C₁₃H₁₂F₃NOCAS 230615-51-7255.24 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₁₃H₁₂F₃NO
Molar mass: 255.24 g/mol
Exact mass: 255.0871 Da
logP: 2.66Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

230615-51-7

SMILES

C1C2CN(CC1C3=CC=CC=C23)C(=O)C(F)(F)F

InChIKey

LMOTUASGGOAXPT-UHFFFAOYSA-N

InChI

InChI=1S/C13H12F3NO/c14-13(15,16)12(18)17-6-8-5-9(7-17)11-4-2-1-3-10(8)11/h1-4,8-9H,5-7H2

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Names and synonyms

1 names

2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)ethan-1-one

Work with 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine

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

2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine230615-69-767 % similar 2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone230615-70-063 % similar 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine230615-59-559 % similar 2,2,2-Trifluoro-1-(1-piperidinyl)ethanone340-07-841 % similar N,N-Diethyl-2,2,2-trifluoroacetamide360-92-941 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-737 % similar 1,1,1-Trifluoro-3-phenyl-2-propanone350-92-534 % similar 2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride230615-52-833 % similar

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

Elsewhere

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