(R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine

C₉H₉F₂NO₂CAS 1213203-92-9201.17 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether Primary amine

Properties

Molecular formula: C₉H₉F₂NO₂
Molar mass: 201.17 g/mol
Exact mass: 201.0601 Da
logP: 2.03Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

1213203-92-9

SMILES

C[C@H](C1=C2C(=CC=C1)OC(O2)(F)F)N

InChIKey

CBTSTJVNWKVHDE-RXMQYKEDSA-N

InChI

InChI=1S/C9H9F2NO2/c1-5(12)6-3-2-4-7-8(6)14-9(10,11)13-7/h2-5H,12H2,1H3/t5-/m1/s1

Weigh it out

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

Work with (R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine

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

4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-453 % similar 4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-750 % similar 2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde119895-68-045 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-144 % similar 2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-242 % similar (-)-1-(1-Naphthyl)ethylamine10420-89-040 % similar Fludioxonil131341-86-140 % similar (+)-1-(1-Naphthyl)ethylamine3886-70-240 % similar

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

Same formula

N-[4-(Difluoromethoxy)phenyl]acetamide22236-11-9 3,5-Difluoro-D-phenylalanine266360-63-8 3,5-Difluoro-L-phenylalanine31105-91-6 3,5-Difluorophenylalanine32133-37-2

Elsewhere

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