3-Fluoro-4-(trifluoromethoxy)aniline

C₇H₅F₄NOCAS 1017779-69-9195.12 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₅F₄NO
Molar mass: 195.12 g/mol
Exact mass: 195.0307 Da
logP: 2.31Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

1017779-69-9

SMILES

C1=CC(=C(C=C1N)F)OC(F)(F)F

InChIKey

NDCPAIUBKAIJTK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2

Weigh it out

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

Work with 3-Fluoro-4-(trifluoromethoxy)aniline

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-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-658 % similar 3,4-Difluoroaniline3863-11-452 % similar 4-(Trifluoromethoxy)aniline461-82-552 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-352 % similar 3-(Trifluoromethoxy)aniline1535-73-550 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-347 % similar 4-Chloro-3-fluorobenzenamine367-22-645 % similar 3-Fluoro-4-methylaniline452-77-745 % similar

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

Same formula

2-Fluoro-3-trifluoromethoxy aniline116369-23-4

Elsewhere

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