chempirical

1-(4-Fluorophenyl)biguanidine hydrochloride

C8H11ClFN5CAS 16018-83-0231.66 g/mol

Open in Covalent MOL file
HClNHH2NNHHNHNF
Aryl halideGuanidine

Properties

Molecular formula
C8H11ClFN5
Molar mass
231.66 g/mol
Exact mass
231.0687 Da
logP
1.08Crippen estimate
Polar surface area
97.8 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
1

Identifiers

CAS number
16018-83-0
SMILES
Cl.N=C(N)NC(=N)Nc1ccc(F)cc1
InChIKey
HBYJTLZNKNUTCP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10FN5.ClH/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H

Weigh it out

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

Names and synonyms

5 names
  • Imidodicarbonimidic diamide, N-(4-fluorophenyl)-, hydrochloride (1:1)
  • Biguanide, 1-(p-fluorophenyl)-, monohydrochloride
  • Imidodicarbonimidic diamide, N-(4-fluorophenyl)-, monohydrochloride
  • [[(4-Fluoroanilino)(imino)methyl]amino]methanimidamide hydrochloride
  • 1-Carbamimidamido-N-(4-fluorophenyl)methanimidamide hydrochloride

Work with 1-(4-Fluorophenyl)biguanidine 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

1-(p-Chlorophenyl)biguanide monohydrochloride4022-81-568 % similar 1-(2,4-Difluorophenyl)biguanide hydrochloride66088-52-664 % similar Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)66088-53-764 % similar Phenylbiguanide102-02-361 % similar N-m-Chlorophenylbiguanide hydrochloride2113-05-556 % similar 1-(o-Chlorophenyl)biguanide monohydrochloride19579-44-350 % similar (4-Fluorophenyl)hydrazine hydrochloride823-85-844 % similar Phenformin hydrochloride834-28-644 % similar

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

Elsewhere

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