2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide

C7H14F3N3O2 — CID 77100282

IUPAC2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CCOC(F)(F)F)CC(N)=NO
InChIInChI=1S/C7H14F3N3O2/c1-2-13(5-6(11)12-14)3-4-15-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyKSQOEFKRHATAKW-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.59
Rot. Bonds6

About 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide

2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide (PubChem CID 77100282) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide
PubChem CID77100282
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC Name2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CCOC(F)(F)F)CC(N)=NO
InChIInChI=1S/C7H14F3N3O2/c1-2-13(5-6(11)12-14)3-4-15-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyKSQOEFKRHATAKW-UHFFFAOYSA-N
XLogP0.59
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.59
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-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide (CID 77100282) is 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide is CCN(CCOC(F)(F)F)CC(N)=NO.
What is the InChIKey of 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is KSQOEFKRHATAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c1-2-13(5-6(11)12-14)3-4-15-7(8,9)10/h14H,2-5H2,1H3,(H2,11,12).
What are the key properties of 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide?
2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 229.20 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77100282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).