2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide

C9H11F2N3O — CID 77028561

IUPAC2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
SMILESCC(Nc1c(F)cccc1F)C(N)=NO
InChIInChI=1S/C9H11F2N3O/c1-5(9(12)14-15)13-8-6(10)3-2-4-7(8)11/h2-5,13,15H,1H3,(H2,12,14)
InChIKeyVUGNZDXOPBXDKT-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.51
Rot. Bonds3

About 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide

2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide (PubChem CID 77028561) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
PubChem CID77028561
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
SMILESCC(Nc1c(F)cccc1F)C(N)=NO
InChIInChI=1S/C9H11F2N3O/c1-5(9(12)14-15)13-8-6(10)3-2-4-7(8)11/h2-5,13,15H,1H3,(H2,12,14)
InChIKeyVUGNZDXOPBXDKT-UHFFFAOYSA-N
XLogP1.51
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.51
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-anilino-N'-hydroxypropanimidamide
CID 77025272
2-(4-bromo-2-fluoroanilino)-N'-hydroxypropanimidamide
CID 77025192
2-(2,6-difluoroanilino)-N,N-dimethylpropanamide
CID 43088763
2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77032131
2-(2,6-difluoroanilino)-3-methylbutanenitrile
CID 82126738
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
CID 77030017
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77030267
N'-hydroxy-2-[[(1S)-1-phenylethyl]amino]propanimidamide
CID 78992213
2-(2,6-difluoro-3-methylanilino)-N'-hydroxybutanimidamide
CID 82820343
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2-(3-chloro-4-methylanilino)-N'-hydroxypropanimidamide
CID 77027050

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide (CID 77028561) is 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide is CC(Nc1c(F)cccc1F)C(N)=NO.
What is the InChIKey of 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide?
The InChIKey is VUGNZDXOPBXDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-5(9(12)14-15)13-8-6(10)3-2-4-7(8)11/h2-5,13,15H,1H3,(H2,12,14).
What are the key properties of 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide?
2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide has a molecular weight of 215.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77028561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).