2,6-difluoro-N'-hydroxybenzenecarboximidamide

C7H6F2N2O — CID 3492978

IUPAC2,6-difluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1F
InChIInChI=1S/C7H6F2N2O/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeyNIVIFIAMPVFPHJ-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.06
Rot. Bonds1

About 2,6-difluoro-N'-hydroxybenzenecarboximidamide

2,6-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 3492978) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 2,6-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2,6-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID3492978
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name2,6-difluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1F
InChIInChI=1S/C7H6F2N2O/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeyNIVIFIAMPVFPHJ-UHFFFAOYSA-N
XLogP1.06
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.06
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-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide
CID 15452050
2-fluoro-N'-hydroxy-6-propan-2-ylsulfanylbenzenecarboximidamide
CID 79522692
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
CID 74881969
3-fluoro-N'-hydroxy-2-methylbenzenecarboximidamide
CID 130647799
2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide
CID 79519881
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79522371
2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 78981401
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
2-fluoro-N'-hydroxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 79516971

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2,6-difluoro-N'-hydroxybenzenecarboximidamide (CID 3492978) is 2,6-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2,6-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2,6-difluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is NIVIFIAMPVFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H,(H2,10,11).
What are the key properties of 2,6-difluoro-N'-hydroxybenzenecarboximidamide?
2,6-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 172.13 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 3492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).