2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

C8H15F3N2O3 — CID 103370328

IUPAC2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCOCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-2-15-3-4-16-5-6(7(12)13-14)8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,13)
InChIKeyYIVHROPXODOJRB-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.96
Rot. Bonds7

About 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370328) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370328
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCOCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-2-15-3-4-16-5-6(7(12)13-14)8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,13)
InChIKeyYIVHROPXODOJRB-UHFFFAOYSA-N
XLogP0.96
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
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 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370328) is 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCOCCOCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is YIVHROPXODOJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c1-2-15-3-4-16-5-6(7(12)13-14)8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,13).
What are the key properties of 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 244.21 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxymethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).