4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

C8H7F3N2O2 — CID 107666402

IUPAC4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C8H7F3N2O2/c9-5-3-4(7(12)13-14)1-2-6(5)15-8(10)11/h1-3,8,14H,(H2,12,13)
InChIKeyQZRRHYZNAJWAOV-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.52
Rot. Bonds3

About 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107666402) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107666402
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C8H7F3N2O2/c9-5-3-4(7(12)13-14)1-2-6(5)15-8(10)11/h1-3,8,14H,(H2,12,13)
InChIKeyQZRRHYZNAJWAOV-UHFFFAOYSA-N
XLogP1.52
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.52
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351
3-fluoro-N'-hydroxy-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 43658276
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666251
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 107666402) is 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is QZRRHYZNAJWAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-5-3-4(7(12)13-14)1-2-6(5)15-8(10)11/h1-3,8,14H,(H2,12,13).
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 220.15 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107666402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).