2.3-Difluoro 4-trifluoromethoxyaniline

C7H4F5NCAS 123950-46-9197.11 g/mol

Open in Covalent MOL file
FFFFFNH2
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H4F5N
Molar mass
197.11 g/mol
Exact mass
197.0264 Da
logP
2.57Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
123950-46-9
SMILES
C1=CC(=C(C(=C1C(F)(F)F)F)F)N
InChIKey
RRTVKWPCWJVMGM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F5N/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2H,13H2

Weigh it out

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

Names and synonyms

1 names
  • 4-Amino-2,3-difluorobenzotrifluoride

Work with 2.3-Difluoro 4-trifluoromethoxyaniline

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-Fluoro-3-(trifluoromethyl)aniline123973-25-168 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-552 % similar 5-Fluoro-2-(trifluoromethyl)aniline827-20-352 % similar 3,3'-Bis(trifluoromethyl)benzidine346-88-350 % similar 2,3,4-Trifluoroaniline3862-73-550 % similar 2,5-Bis(trifluoromethyl)aniline328-93-848 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-648 % similar 2,4-Bis(trifluoromethyl)aniline367-71-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-2,5-difluorobenzotrifluoride114973-22-7 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-7 2,4-Difluoro-5-(trifluoromethyl)aniline261944-56-3

Elsewhere

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