5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole

C₉H₄F₆N₄CAS 175205-09-1282.15 g/mol

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Properties

Molecular formula: C₉H₄F₆N₄
Molar mass: 282.15 g/mol
Exact mass: 282.0340 Da
logP: 2.90Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

175205-09-1

SMILES

FC(F)(F)c1cc(-c2nn[nH]n2)cc(C(F)(F)F)c1

InChIKey

KKJFZIQEWZVVIV-UHFFFAOYSA-N

InChI

InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)

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Names and synonyms

2 names

2H-Tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-
1H-Tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-

Work with 5-[3,5-Bis(trifluoromethyl)phenyl]-2H-tetrazole

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

5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione175276-77-446 % similar 5-Phenyltetrazole18039-42-445 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-542 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-842 % similar 5-(3-Bromophenyl)-2H-tetrazole3440-99-141 % similar 5-(3-Aminophenyl)tetrazole73732-51-141 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-639 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-838 % similar

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

Elsewhere

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