2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide

C8H8F2N2O — CID 46704421

IUPAC2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1cc(F)c(/C(N)=N\O)cc1F
InChIInChI=1S/C8H8F2N2O/c1-4-2-7(10)5(3-6(4)9)8(11)12-13/h2-3,13H,1H3,(H2,11,12)
InChIKeyMBRGQWVMGBUMRI-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.37
Rot. Bonds1

About 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide

2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 46704421) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID46704421
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1cc(F)c(/C(N)=N\O)cc1F
InChIInChI=1S/C8H8F2N2O/c1-4-2-7(10)5(3-6(4)9)8(11)12-13/h2-3,13H,1H3,(H2,11,12)
InChIKeyMBRGQWVMGBUMRI-UHFFFAOYSA-N
XLogP1.37
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.37
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': 'oxime_1', '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 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide (CID 46704421) is 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1cc(F)c(/C(N)=N\O)cc1F.
What is the InChIKey of 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is MBRGQWVMGBUMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-4-2-7(10)5(3-6(4)9)8(11)12-13/h2-3,13H,1H3,(H2,11,12).
What are the key properties of 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 186.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 46704421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).