8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide

C9H17F3N2O — CID 156537730

IUPAC8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide
SMILESCC(CCCCCC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C9H17F3N2O/c1-7(8(13)14-15)5-3-2-4-6-9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14)
InChIKeyNTWXAUINAGTFIC-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.88
Rot. Bonds6

About 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide

8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide (PubChem CID 156537730) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide.

Molecular Properties

Compound Name8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide
PubChem CID156537730
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide
SMILESCC(CCCCCC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C9H17F3N2O/c1-7(8(13)14-15)5-3-2-4-6-9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14)
InChIKeyNTWXAUINAGTFIC-UHFFFAOYSA-N
XLogP2.88
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide 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 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide?
The IUPAC name of 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide (CID 156537730) is 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide.
What is the SMILES notation for 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide?
The canonical SMILES for 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide is CC(CCCCCC(F)(F)F)/C(N)=N/O.
What is the InChIKey of 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide?
The InChIKey is NTWXAUINAGTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(8(13)14-15)5-3-2-4-6-9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14).
What are the key properties of 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide?
8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide has a molecular weight of 226.24 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-N'-hydroxy-2-methyloctanimidamide is sourced from PubChem (CID 156537730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).