6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide

C11H18F6N2O2 — CID 106711892

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOC(C(F)(F)F)C(F)(F)F)C(N)=NO
InChIInChI=1S/C11H18F6N2O2/c1-9(2,8(18)19-20)5-3-4-6-21-7(10(12,13)14)11(15,16)17/h7,20H,3-6H2,1-2H3,(H2,18,19)
InChIKeyXXCCIVKMNVOWIP-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.44
Rot. Bonds7

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711892) has the molecular formula C11H18F6N2O2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711892
Molecular FormulaC11H18F6N2O2
Molecular Weight324.27 g/mol
Exact Mass324.13
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCOC(C(F)(F)F)C(F)(F)F)C(N)=NO
InChIInChI=1S/C11H18F6N2O2/c1-9(2,8(18)19-20)5-3-4-6-21-7(10(12,13)14)11(15,16)17/h7,20H,3-6H2,1-2H3,(H2,18,19)
InChIKeyXXCCIVKMNVOWIP-UHFFFAOYSA-N
XLogP3.44
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711892) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCOC(C(F)(F)F)C(F)(F)F)C(N)=NO.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is XXCCIVKMNVOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O2/c1-9(2,8(18)19-20)5-3-4-6-21-7(10(12,13)14)11(15,16)17/h7,20H,3-6H2,1-2H3,(H2,18,19).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 324.27 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).