4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide

C9H10F2N2O — CID 91134081

IUPAC4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(/C(N)=N\O)c(F)c1F
InChIInChI=1S/C9H10F2N2O/c1-2-5-3-4-6(9(12)13-14)8(11)7(5)10/h3-4,14H,2H2,1H3,(H2,12,13)
InChIKeyZWPCAYBHYBRFTK-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.62
Rot. Bonds2

About 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide

4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 91134081) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID91134081
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide
SMILESCCc1ccc(/C(N)=N\O)c(F)c1F
InChIInChI=1S/C9H10F2N2O/c1-2-5-3-4-6(9(12)13-14)8(11)7(5)10/h3-4,14H,2H2,1H3,(H2,12,13)
InChIKeyZWPCAYBHYBRFTK-UHFFFAOYSA-N
XLogP1.62
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.62
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'}

Analyze 4-ethyl-2,3-difluoro-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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide (CID 91134081) is 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide is CCc1ccc(/C(N)=N\O)c(F)c1F.
What is the InChIKey of 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZWPCAYBHYBRFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-2-5-3-4-6(9(12)13-14)8(11)7(5)10/h3-4,14H,2H2,1H3,(H2,12,13).
What are the key properties of 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide?
4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 200.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 91134081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).