5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide

C10H16F6N2O2 — CID 102722304

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCOC(C(F)(F)F)C(F)(F)F)C(N)=NO
InChIInChI=1S/C10H16F6N2O2/c1-8(2,7(17)18-19)4-3-5-20-6(9(11,12)13)10(14,15)16/h6,19H,3-5H2,1-2H3,(H2,17,18)
InChIKeyBSOQSWQYXSOYRR-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.05
Rot. Bonds6

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 102722304) has the molecular formula C10H16F6N2O2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID102722304
Molecular FormulaC10H16F6N2O2
Molecular Weight310.24 g/mol
Exact Mass310.11
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCOC(C(F)(F)F)C(F)(F)F)C(N)=NO
InChIInChI=1S/C10H16F6N2O2/c1-8(2,7(17)18-19)4-3-5-20-6(9(11,12)13)10(14,15)16/h6,19H,3-5H2,1-2H3,(H2,17,18)
InChIKeyBSOQSWQYXSOYRR-UHFFFAOYSA-N
XLogP3.05
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.05
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 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 102722304) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCOC(C(F)(F)F)C(F)(F)F)C(N)=NO.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is BSOQSWQYXSOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O2/c1-8(2,7(17)18-19)4-3-5-20-6(9(11,12)13)10(14,15)16/h6,19H,3-5H2,1-2H3,(H2,17,18).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 310.24 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 102722304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).