5-(4-Fluorophenyl)-1H-tetrazole

C7H5FN4CAS 50907-21-6164.14 g/mol

Open in Covalent MOL file
NHNNNF
Aryl halide

Properties

Molecular formula
C7H5FN4
Molar mass
164.14 g/mol
Exact mass
164.0498 Da
logP
1.01Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
50907-21-6
SMILES
C1=CC(=CC=C1C2=NNN=N2)F
InChIKey
DTAOERLWDORJFR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

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Names and synonyms

1 names
  • 5-(4-Fluoro-phenyl)-2H-tetrazole

Work with 5-(4-Fluorophenyl)-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-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-475 % similar 5-Phenyltetrazole18039-42-461 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-560 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-860 % similar 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole2251-79-859 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-959 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-855 % similar 4-(1H-Tetrazol-5-yl)benzaldehyde74815-22-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook