N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

C8H16F3N3O2 — CID 61490536

IUPACN'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILESCN(CCOCC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C8H16F3N3O2/c1-14(3-2-7(12)13-15)4-5-16-6-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13)
InChIKeyYVARWYHFVNOPRA-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.63
Rot. Bonds7

About N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (PubChem CID 61490536) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
PubChem CID61490536
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC NameN'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILESCN(CCOCC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C8H16F3N3O2/c1-14(3-2-7(12)13-15)4-5-16-6-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13)
InChIKeyYVARWYHFVNOPRA-UHFFFAOYSA-N
XLogP0.63
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (CID 61490536) is N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is CN(CCOCC(F)(F)F)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The InChIKey is YVARWYHFVNOPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c1-14(3-2-7(12)13-15)4-5-16-6-8(9,10)11/h15H,2-6H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide has a molecular weight of 243.23 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 61490536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).