N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide

C11H21F3N2O2 — CID 106711867

IUPACN'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
SMILESCC(OCCCCC(C)(C)C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(11(12,13)14)18-7-5-4-6-10(2,3)9(15)16-17/h8,17H,4-7H2,1-3H3,(H2,15,16)
InChIKeyVBNDOYLUCISNRX-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.90
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide (PubChem CID 106711867) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
PubChem CID106711867
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
SMILESCC(OCCCCC(C)(C)C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(11(12,13)14)18-7-5-4-6-10(2,3)9(15)16-17/h8,17H,4-7H2,1-3H3,(H2,15,16)
InChIKeyVBNDOYLUCISNRX-UHFFFAOYSA-N
XLogP2.90
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.90
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 N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide (CID 106711867) is N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide is CC(OCCCCC(C)(C)C(N)=NO)C(F)(F)F.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
The InChIKey is VBNDOYLUCISNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(11(12,13)14)18-7-5-4-6-10(2,3)9(15)16-17/h8,17H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide has a molecular weight of 270.29 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide is sourced from PubChem (CID 106711867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).