1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride

C8H11ClFN5 — CID 11424753

IUPAC1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccc(F)cc1
InChIInChI=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
InChIKeyHBYJTLZNKNUTCP-UHFFFAOYSA-N
MW231.66 g/mol
LogP0.47
Rot. Bonds1

About 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride (PubChem CID 11424753) has the molecular formula C8H11ClFN5 and a molecular weight of 231.66 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride
PubChem CID11424753
Molecular FormulaC8H11ClFN5
Molecular Weight231.66 g/mol
Exact Mass231.07
IUPAC Name1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccc(F)cc1
InChIInChI=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
InChIKeyHBYJTLZNKNUTCP-UHFFFAOYSA-N
XLogP0.47
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Phenylbiguanide
CID 4780
N-Phenylguanidine
CID 16157
(4-Chlorophenyl)biguanide
CID 19933
1-Phenylbiguanide monohydrochloride
CID 5932
N,N'-Methanetetraylbis(benzenamine)
CID 98693
N-(3-Chlorophenyl)imidodicarbonimidic diamide
CID 1354
Guanidine, N-phenyl-, hydrochloride (1:1)
CID 12253676
N'-(4-fluorophenyl)-N,N-dimethylmethanimidamide
CID 27509
Imidodicarbonimidic diamide, N-(2-methylphenyl)-, monohydrochloride
CID 2730223
1-(2-Chlorophenyl)biguanide
CID 29669
N-(4-Aminophenyl)guanidine
CID 409362
Acetamidine, N-p-tolyl-(6CI,8CI)
CID 203391

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride (CID 11424753) is 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N/c1ccc(F)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride?
The InChIKey is HBYJTLZNKNUTCP-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride has a molecular weight of 231.66 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride is sourced from PubChem (CID 11424753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).