N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide

C6H12F3N3O2 — CID 77100281

IUPACN'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide
SMILESCN(CCOC(F)(F)F)CC(N)=NO
InChIInChI=1S/C6H12F3N3O2/c1-12(4-5(10)11-13)2-3-14-6(7,8)9/h13H,2-4H2,1H3,(H2,10,11)
InChIKeyBGWSWLOTSRYVPR-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.20
Rot. Bonds5

About N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide

N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide (PubChem CID 77100281) has the molecular formula C6H12F3N3O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide
PubChem CID77100281
Molecular FormulaC6H12F3N3O2
Molecular Weight215.17 g/mol
Exact Mass215.09
IUPAC NameN'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide
SMILESCN(CCOC(F)(F)F)CC(N)=NO
InChIInChI=1S/C6H12F3N3O2/c1-12(4-5(10)11-13)2-3-14-6(7,8)9/h13H,2-4H2,1H3,(H2,10,11)
InChIKeyBGWSWLOTSRYVPR-UHFFFAOYSA-N
XLogP0.20
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.20
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 N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide (CID 77100281) is N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide is CN(CCOC(F)(F)F)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide?
The InChIKey is BGWSWLOTSRYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2/c1-12(4-5(10)11-13)2-3-14-6(7,8)9/h13H,2-4H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide?
N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide has a molecular weight of 215.17 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[2-(trifluoromethoxy)ethyl]amino]ethanimidamide is sourced from PubChem (CID 77100281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).