2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine

C9H10F2N4 — CID 168592471

IUPAC2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine
SMILESCc1c(F)cc(F)cc1C=NN=C(N)N
InChIInChI=1S/C9H10F2N4/c1-5-6(4-14-15-9(12)13)2-7(10)3-8(5)11/h2-4H,1H3,(H4,12,13,15)
InChIKeyZNKIKTRMUSXYHB-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.88
Rot. Bonds2

About 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine

2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine (PubChem CID 168592471) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine
PubChem CID168592471
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine
SMILESCc1c(F)cc(F)cc1C=NN=C(N)N
InChIInChI=1S/C9H10F2N4/c1-5-6(4-14-15-9(12)13)2-7(10)3-8(5)11/h2-4H,1H3,(H4,12,13,15)
InChIKeyZNKIKTRMUSXYHB-UHFFFAOYSA-N
XLogP0.88
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.88
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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Related Compounds

2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592804
2-[(E)-(2-chloro-3,5-difluorophenyl)methylideneamino]guanidine;2-[(E)-(3-chloro-2-fluorophenyl)methylideneamino]guanidine;ethane
CID 145167086
2-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
CID 168591000
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
CID 168591057
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine
CID 77060306
2-[(5-ethynyl-2-fluorophenyl)methylideneamino]guanidine
CID 168591367
2-[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591297
2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
CID 168590500
2-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]guanidine
CID 168592843
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine (CID 168592471) is 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine is Cc1c(F)cc(F)cc1C=NN=C(N)N.
What is the InChIKey of 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine?
The InChIKey is ZNKIKTRMUSXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c1-5-6(4-14-15-9(12)13)2-7(10)3-8(5)11/h2-4H,1H3,(H4,12,13,15).
What are the key properties of 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine?
2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine has a molecular weight of 212.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).