2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C₉H₇F₆NOCAS 722-92-9259.15 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Primary amine

Properties

Molecular formula: C₉H₇F₆NO
Molar mass: 259.15 g/mol
Exact mass: 259.0432 Da
logP: 2.58Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

722-92-9

SMILES

C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)O)N

InChIKey

TZEJXCIGVMTMDY-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,17H,16H2

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Names and synonyms

1 names

4-(Hexafluoro-2-hydroxyisopropyl)aniline

Work with 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

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

4,4'-(Hexafluoroisopropylidene)dianiline1095-78-959 % similar α,α-Bis(trifluoromethyl)benzenemethanol718-64-959 % similar 4-(Trifluoromethyl)aniline455-14-152 % similar 4,4′-[[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis[benzenamine]69563-88-848 % similar 4-(Trifluoromethyl)aniline hydrochloride90774-69-947 % similar 4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine]60532-63-046 % similar 4-tert-Butylaniline769-92-641 % similar Sr3335293753-05-641 % similar

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

Elsewhere

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