5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole

C₈H₅F₃N₄CAS 92712-48-6214.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅F₃N₄
Molar mass: 214.15 g/mol
Exact mass: 214.0466 Da
logP: 1.89Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
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

92712-48-6

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=N2

InChIKey

KWSLGOVYXMQPPX-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)

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Names and synonyms

1 names

5-[3-(Trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole

Work with 5-[3-(Trifluoromethyl)phenyl]-1H-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)-2H-tetrazole175205-09-171 % similar 5-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-561 % similar 5-(3-Bromophenyl)-1H-1,2,3,4-tetrazole3440-99-155 % similar 5-(3-Aminophenyl)tetrazole73732-51-155 % similar 5-Phenyltetrazole18039-42-453 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-448 % similar 3,5-Bis(trifluoromethyl)benzene402-31-347 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-646 % similar

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

Same formula

5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole2251-79-8

Elsewhere

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