2-fluoro-1-(4-methylphenyl)guanidine;nitric acid

C8H11FN4O3 — CID 173196737

IUPAC2-fluoro-1-(4-methylphenyl)guanidine;nitric acid
SMILESCc1ccc(NC(N)=NF)cc1.O=[N+]([O-])O
InChIInChI=1S/C8H10FN3.HNO3/c1-6-2-4-7(5-3-6)11-8(10)12-9;2-1(3)4/h2-5H,1H3,(H3,10,11,12);(H,2,3,4)
InChIKeyVCRAACIPVBPGTO-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.26
Rot. Bonds1

About 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid

2-fluoro-1-(4-methylphenyl)guanidine;nitric acid (PubChem CID 173196737) has the molecular formula C8H11FN4O3 and a molecular weight of 230.20 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid.

Molecular Properties

Compound Name2-fluoro-1-(4-methylphenyl)guanidine;nitric acid
PubChem CID173196737
Molecular FormulaC8H11FN4O3
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC Name2-fluoro-1-(4-methylphenyl)guanidine;nitric acid
SMILESCc1ccc(NC(N)=NF)cc1.O=[N+]([O-])O
InChIInChI=1S/C8H10FN3.HNO3/c1-6-2-4-7(5-3-6)11-8(10)12-9;2-1(3)4/h2-5H,1H3,(H3,10,11,12);(H,2,3,4)
InChIKeyVCRAACIPVBPGTO-UHFFFAOYSA-N
XLogP1.26
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(4-fluorophenyl)guanidine;nitric acid
CID 173196722
1-(4-methylphenyl)-2-[2-(4-nitroanilino)ethyl]guanidine;hydroiodide
CID 111033976
(1E)-1-[amino(nitramido)methylidene]-3-(4-methylphenyl)thiourea
CID 15323464
(1E)-1-[amino(nitramido)methylidene]-2,3-bis(4-methylphenyl)guanidine
CID 11834742
2-(4-methylphenyl)guanidine;nitric acid
CID 12910055
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
1-amino-2-[(4-methylphenyl)methyl]guanidine;nitric acid
CID 23618037
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046601
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-nitroguanidine
CID 3761015

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid?
The IUPAC name of 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid (CID 173196737) is 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid.
What is the SMILES notation for 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid?
The canonical SMILES for 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid is Cc1ccc(NC(N)=NF)cc1.O=[N+]([O-])O.
What is the InChIKey of 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid?
The InChIKey is VCRAACIPVBPGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3.HNO3/c1-6-2-4-7(5-3-6)11-8(10)12-9;2-1(3)4/h2-5H,1H3,(H3,10,11,12);(H,2,3,4).
What are the key properties of 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid?
2-fluoro-1-(4-methylphenyl)guanidine;nitric acid has a molecular weight of 230.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylphenyl)guanidine;nitric acid is sourced from PubChem (CID 173196737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).