3,4-Difluoro-5-nitrobenzotrifluoride

C₇H₂F₅NO₂CAS 101646-01-9227.09 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₂F₅NO₂
Molar mass: 227.09 g/mol
Exact mass: 227.0006 Da
logP: 2.89Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

101646-01-9

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])F)F)C(F)(F)F

InChIKey

OADFVSQNTMBILE-UHFFFAOYSA-N

InChI

InChI=1S/C7H2F5NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H

Weigh it out

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

Work with 3,4-Difluoro-5-nitrobenzotrifluoride

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

3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-070 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-265 % similar 1,2,3,4-Tetrafluoro-5-nitrobenzene5580-79-060 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-959 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-159 % similar 1-Nitro-3,5-bis(trifluoromethyl)benzene328-75-653 % similar 3,5-Dinitrobenzotrifluoride401-99-053 % similar 1,2-Difluoro-3-nitrobenzene6921-22-851 % similar

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

Elsewhere

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