N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide

C9H11FN4 — CID 166850908

IUPACN'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(N)=N/N=C\N
InChIInChI=1S/C9H11FN4/c1-6-2-3-7(10)4-8(6)9(12)14-13-5-11/h2-5H,1H3,(H2,11,13)(H2,12,14)
InChIKeyFVLAUQXLCBAGAE-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.74
Rot. Bonds2

About N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide

N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide (PubChem CID 166850908) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide
PubChem CID166850908
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC NameN'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide
SMILESCc1ccc(F)cc1/C(N)=N/N=C\N
InChIInChI=1S/C9H11FN4/c1-6-2-3-7(10)4-8(6)9(12)14-13-5-11/h2-5H,1H3,(H2,11,13)(H2,12,14)
InChIKeyFVLAUQXLCBAGAE-UHFFFAOYSA-N
XLogP0.74
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide (CID 166850908) is N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide is Cc1ccc(F)cc1/C(N)=N/N=C\N.
What is the InChIKey of N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide?
The InChIKey is FVLAUQXLCBAGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-6-2-3-7(10)4-8(6)9(12)14-13-5-11/h2-5H,1H3,(H2,11,13)(H2,12,14).
What are the key properties of N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide?
N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide has a molecular weight of 194.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-aminomethylideneamino]-5-fluoro-2-methylbenzenecarboximidamide is sourced from PubChem (CID 166850908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).