5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

C11H23F2N3O2 — CID 114127895

IUPAC5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCCOCC(F)F)C(N)=NO
InChIInChI=1S/C11H23F2N3O2/c1-11(2,10(14)16-17)4-3-5-15-6-7-18-8-9(12)13/h9,15,17H,3-8H2,1-2H3,(H2,14,16)
InChIKeyCXQLULQBWLILIP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.41
Rot. Bonds10

About 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 114127895) has the molecular formula C11H23F2N3O2 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID114127895
Molecular FormulaC11H23F2N3O2
Molecular Weight267.32 g/mol
Exact Mass267.18
IUPAC Name5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCCOCC(F)F)C(N)=NO
InChIInChI=1S/C11H23F2N3O2/c1-11(2,10(14)16-17)4-3-5-15-6-7-18-8-9(12)13/h9,15,17H,3-8H2,1-2H3,(H2,14,16)
InChIKeyCXQLULQBWLILIP-UHFFFAOYSA-N
XLogP1.41
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 114127895) is 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCNCCOCC(F)F)C(N)=NO.
What is the InChIKey of 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is CXQLULQBWLILIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O2/c1-11(2,10(14)16-17)4-3-5-15-6-7-18-8-9(12)13/h9,15,17H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 267.32 g/mol, XLogP of 1.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-difluoroethoxy)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 114127895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).