3,5-Bis(trifluoromethyl)benzamidine hydrochloride

C₉H₇ClF₆N₂CAS 97603-94-6292.61 g/mol

Open in Covalent MOL file

Alkyl halide Amidine

Properties

Molecular formula: C₉H₇ClF₆N₂
Molar mass: 292.61 g/mol
Exact mass: 292.0202 Da
logP: 3.43Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
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

97603-94-6

SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=N)N.Cl

InChIKey

GOCQSQHVIVLYOG-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F6N2.ClH/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15;/h1-3H,(H3,16,17);1H

Weigh it out

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Work with 3,5-Bis(trifluoromethyl)benzamidine hydrochloride

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-(Trifluoromethyl)benzamidine Hydrochloride38980-96-068 % similar 4-(Trifluoromethyl)benzamidine hydrochloride dihydrate175278-62-367 % similar 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride221313-11-753 % similar 3,5-Bis(trifluoromethyl)benzamide22227-26-552 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride36068-40-349 % similar (3,5-Bis(trifluoromethyl)phenyl)hydrazine hydrochloride502496-23-348 % similar Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)206752-36-547 % similar 4-Fluorobenzamidine hydrochloride456-14-447 % similar

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

Elsewhere

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