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

C9H7F6NOCAS 722-92-9259.15 g/mol

Open in Covalent MOL file
FFFFFFOHNH2
AlcoholAlkyl halidePrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)anilinium chloride90774-69-947 % 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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