N'-amino-4-fluorobenzenecarboximidamide;hydrochloride

C7H9ClFN3 — CID 68690299

IUPACN'-amino-4-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.NN=C(N)c1ccc(F)cc1
InChIInChI=1S/C7H8FN3.ClH/c8-6-3-1-5(2-4-6)7(9)11-10;/h1-4H,10H2,(H2,9,11);1H
InChIKeyVZUJAGNTWLHOAE-UHFFFAOYSA-N
MW189.62 g/mol
LogP0.83
Rot. Bonds1

About N'-amino-4-fluorobenzenecarboximidamide;hydrochloride

N'-amino-4-fluorobenzenecarboximidamide;hydrochloride (PubChem CID 68690299) has the molecular formula C7H9ClFN3 and a molecular weight of 189.62 g/mol. Its IUPAC name is N'-amino-4-fluorobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-amino-4-fluorobenzenecarboximidamide;hydrochloride
PubChem CID68690299
Molecular FormulaC7H9ClFN3
Molecular Weight189.62 g/mol
Exact Mass189.05
IUPAC NameN'-amino-4-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.NN=C(N)c1ccc(F)cc1
InChIInChI=1S/C7H8FN3.ClH/c8-6-3-1-5(2-4-6)7(9)11-10;/h1-4H,10H2,(H2,9,11);1H
InChIKeyVZUJAGNTWLHOAE-UHFFFAOYSA-N
XLogP0.83
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
N'-aminobenzenecarboximidamide
CID 5474957
N'-amino-4-[2-[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzenecarboximidamide
CID 59974905
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
CID 130271294
N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
CID 86594416
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
CID 19292023
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
N'-amino-2-bromo-4-fluorobenzenecarboximidamide
CID 61360545
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
CID 7363991
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19291930

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-fluorobenzenecarboximidamide;hydrochloride?
The IUPAC name of N'-amino-4-fluorobenzenecarboximidamide;hydrochloride (CID 68690299) is N'-amino-4-fluorobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-amino-4-fluorobenzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-amino-4-fluorobenzenecarboximidamide;hydrochloride is Cl.NN=C(N)c1ccc(F)cc1.
What is the InChIKey of N'-amino-4-fluorobenzenecarboximidamide;hydrochloride?
The InChIKey is VZUJAGNTWLHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3.ClH/c8-6-3-1-5(2-4-6)7(9)11-10;/h1-4H,10H2,(H2,9,11);1H.
What are the key properties of N'-amino-4-fluorobenzenecarboximidamide;hydrochloride?
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride has a molecular weight of 189.62 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-fluorobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 68690299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).