3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide

C11H21F3N2O5 — CID 103370505

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide
SMILESCOCCOCCOCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O5/c1-18-2-3-19-4-5-20-6-7-21-8-9(10(15)16-17)11(12,13)14/h9,17H,2-8H2,1H3,(H2,15,16)
InChIKeyICFGWIUPETUORB-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.61
Rot. Bonds12

About 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide (PubChem CID 103370505) has the molecular formula C11H21F3N2O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide
PubChem CID103370505
Molecular FormulaC11H21F3N2O5
Molecular Weight318.29 g/mol
Exact Mass318.14
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide
SMILESCOCCOCCOCCOCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O5/c1-18-2-3-19-4-5-20-6-7-21-8-9(10(15)16-17)11(12,13)14/h9,17H,2-8H2,1H3,(H2,15,16)
InChIKeyICFGWIUPETUORB-UHFFFAOYSA-N
XLogP0.61
TPSA95.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide (CID 103370505) is 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide is COCCOCCOCCOCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide?
The InChIKey is ICFGWIUPETUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O5/c1-18-2-3-19-4-5-20-6-7-21-8-9(10(15)16-17)11(12,13)14/h9,17H,2-8H2,1H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide has a molecular weight of 318.29 g/mol, XLogP of 0.61, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]propanimidamide is sourced from PubChem (CID 103370505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).