chempirical

4-Amino-2,5-difluorobenzotrifluoride

C7H4F5NCAS 114973-22-7197.11 g/mol

Open in Covalent MOL file
FH2NFFFF
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

Identifiers

CAS number
114973-22-7
SMILES
C1=C(C(=CC(=C1F)N)F)C(F)(F)F
InChIKey
FPEXXFHBKBTGJL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F5N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2

Weigh it out

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

Work with 4-Amino-2,5-difluorobenzotrifluoride

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-5-(trifluoromethyl)benzenamine104460-70-061 % similar 2,4,5-Trifluoroaniline367-34-056 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-352 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-352 % similar 4,5-Difluoro-1,2-phenylenediamine76179-40-348 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-547 % similar 4-Bromo-2,5-difluoroaniline112279-60-447 % similar 4-Amino-2,5-difluorophenol120103-19-747 % similar

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

Same formula

3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-7 2.3-Difluoro 4-trifluoromethoxyaniline123950-46-9

Elsewhere

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