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

C9H18F3N3O3 — CID 77100300

IUPACN'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
SMILESCOCCN(CCOC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C9H18F3N3O3/c1-17-6-4-15(3-2-8(13)14-16)5-7-18-9(10,11)12/h16H,2-7H2,1H3,(H2,13,14)
InChIKeyAHTCYUDTMPGRQM-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.61
Rot. Bonds9

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

N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide (PubChem CID 77100300) has the molecular formula C9H18F3N3O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
PubChem CID77100300
Molecular FormulaC9H18F3N3O3
Molecular Weight273.25 g/mol
Exact Mass273.13
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
SMILESCOCCN(CCOC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C9H18F3N3O3/c1-17-6-4-15(3-2-8(13)14-16)5-7-18-9(10,11)12/h16H,2-7H2,1H3,(H2,13,14)
InChIKeyAHTCYUDTMPGRQM-UHFFFAOYSA-N
XLogP0.61
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide (CID 77100300) is N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide is COCCN(CCOC(F)(F)F)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
The InChIKey is AHTCYUDTMPGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3/c1-17-6-4-15(3-2-8(13)14-16)5-7-18-9(10,11)12/h16H,2-7H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide has a molecular weight of 273.25 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 77100300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).