2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

C9H17F3N2O3 — CID 103488578

IUPAC2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCOCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-3-16-4-6(2)17-5-7(8(13)14-15)9(10,11)12/h6-7,15H,3-5H2,1-2H3,(H2,13,14)
InChIKeyHQKHDBGZUDDECA-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.35
Rot. Bonds7

About 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103488578) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103488578
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCOCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-3-16-4-6(2)17-5-7(8(13)14-15)9(10,11)12/h6-7,15H,3-5H2,1-2H3,(H2,13,14)
InChIKeyHQKHDBGZUDDECA-UHFFFAOYSA-N
XLogP1.35
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103488578) is 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCOCC(C)OCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is HQKHDBGZUDDECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-3-16-4-6(2)17-5-7(8(13)14-15)9(10,11)12/h6-7,15H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 258.24 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103488578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).