N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide

C10H12F3N3O — CID 77029269

IUPACN'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide
SMILESCCC(Nc1cc(F)cc(F)c1F)C(N)=NO
InChIInChI=1S/C10H12F3N3O/c1-2-7(10(14)16-17)15-8-4-5(11)3-6(12)9(8)13/h3-4,7,15,17H,2H2,1H3,(H2,14,16)
InChIKeyTUXTZYNUFKXSTD-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.04
Rot. Bonds4

About N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide

N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide (PubChem CID 77029269) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide
PubChem CID77029269
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide
SMILESCCC(Nc1cc(F)cc(F)c1F)C(N)=NO
InChIInChI=1S/C10H12F3N3O/c1-2-7(10(14)16-17)15-8-4-5(11)3-6(12)9(8)13/h3-4,7,15,17H,2H2,1H3,(H2,14,16)
InChIKeyTUXTZYNUFKXSTD-UHFFFAOYSA-N
XLogP2.04
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide (CID 77029269) is N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide is CCC(Nc1cc(F)cc(F)c1F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide?
The InChIKey is TUXTZYNUFKXSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-2-7(10(14)16-17)15-8-4-5(11)3-6(12)9(8)13/h3-4,7,15,17H,2H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide?
N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide has a molecular weight of 247.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide is sourced from PubChem (CID 77029269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).