3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide

C9H18F3N3O2 — CID 77100271

IUPAC3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCOC(F)(F)F)CC(C)C(N)=NO
InChIInChI=1S/C9H18F3N3O2/c1-3-15(4-5-17-9(10,11)12)6-7(2)8(13)14-16/h7,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyOPGLLYMTEFCZPI-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.23
Rot. Bonds7

About 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77100271) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77100271
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC Name3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCOC(F)(F)F)CC(C)C(N)=NO
InChIInChI=1S/C9H18F3N3O2/c1-3-15(4-5-17-9(10,11)12)6-7(2)8(13)14-16/h7,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyOPGLLYMTEFCZPI-UHFFFAOYSA-N
XLogP1.23
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.23
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 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 77100271) is 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCOC(F)(F)F)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is OPGLLYMTEFCZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-3-15(4-5-17-9(10,11)12)6-7(2)8(13)14-16/h7,16H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 257.26 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77100271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).