8,8,9-trifluoro-N'-hydroxynonanimidamide

C9H17F3N2O — CID 156537621

IUPAC8,8,9-trifluoro-N'-hydroxynonanimidamide
SMILESN/C(CCCCCCC(F)(F)CF)=N\O
InChIInChI=1S/C9H17F3N2O/c10-7-9(11,12)6-4-2-1-3-5-8(13)14-15/h15H,1-7H2,(H2,13,14)
InChIKeyIFUQUALLJGPUGS-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.68
Rot. Bonds8

About 8,8,9-trifluoro-N'-hydroxynonanimidamide

8,8,9-trifluoro-N'-hydroxynonanimidamide (PubChem CID 156537621) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 8,8,9-trifluoro-N'-hydroxynonanimidamide.

Molecular Properties

Compound Name8,8,9-trifluoro-N'-hydroxynonanimidamide
PubChem CID156537621
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name8,8,9-trifluoro-N'-hydroxynonanimidamide
SMILESN/C(CCCCCCC(F)(F)CF)=N\O
InChIInChI=1S/C9H17F3N2O/c10-7-9(11,12)6-4-2-1-3-5-8(13)14-15/h15H,1-7H2,(H2,13,14)
InChIKeyIFUQUALLJGPUGS-UHFFFAOYSA-N
XLogP2.68
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.68
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'}

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Frequently Asked Questions

What is the IUPAC name of 8,8,9-trifluoro-N'-hydroxynonanimidamide?
The IUPAC name of 8,8,9-trifluoro-N'-hydroxynonanimidamide (CID 156537621) is 8,8,9-trifluoro-N'-hydroxynonanimidamide.
What is the SMILES notation for 8,8,9-trifluoro-N'-hydroxynonanimidamide?
The canonical SMILES for 8,8,9-trifluoro-N'-hydroxynonanimidamide is N/C(CCCCCCC(F)(F)CF)=N\O.
What is the InChIKey of 8,8,9-trifluoro-N'-hydroxynonanimidamide?
The InChIKey is IFUQUALLJGPUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-7-9(11,12)6-4-2-1-3-5-8(13)14-15/h15H,1-7H2,(H2,13,14).
What are the key properties of 8,8,9-trifluoro-N'-hydroxynonanimidamide?
8,8,9-trifluoro-N'-hydroxynonanimidamide has a molecular weight of 226.24 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9-trifluoro-N'-hydroxynonanimidamide is sourced from PubChem (CID 156537621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).