2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide

C8H9FN2O — CID 125466399

IUPAC2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(F)c1
InChIInChI=1S/C8H9FN2O/c1-5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyVAFZTNBEYGKMHH-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.23
Rot. Bonds1

About 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide

2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 125466399) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID125466399
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(F)c1
InChIInChI=1S/C8H9FN2O/c1-5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKeyVAFZTNBEYGKMHH-UHFFFAOYSA-N
XLogP1.23
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.23
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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Related Compounds

2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929880
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234
2-fluoro-N-[2-(N'-hydroxycarbamimidoyl)phenyl]-5-methylbenzamide
CID 76945644
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
3-fluoro-N'-hydroxy-2-methylbenzenecarboximidamide
CID 130647799
2-(2,3-dihydroxypropylsulfanyl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 79682498
2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
CID 55057163

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide (CID 125466399) is 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)c(F)c1.
What is the InChIKey of 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is VAFZTNBEYGKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-5-2-3-6(7(9)4-5)8(10)11-12/h2-4,12H,1H3,(H2,10,11).
What are the key properties of 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide?
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 168.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 125466399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).