N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide

C11H22F3N3O3 — CID 76994125

IUPACN'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
SMILESCOCCN(CCCOCC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C11H22F3N3O3/c1-19-8-6-17(5-3-10(15)16-18)4-2-7-20-9-11(12,13)14/h18H,2-9H2,1H3,(H2,15,16)
InChIKeyAWKFECLGUXJOFA-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.04
Rot. Bonds11

About N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide (PubChem CID 76994125) has the molecular formula C11H22F3N3O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
PubChem CID76994125
Molecular FormulaC11H22F3N3O3
Molecular Weight301.31 g/mol
Exact Mass301.16
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
SMILESCOCCN(CCCOCC(F)(F)F)CCC(N)=NO
InChIInChI=1S/C11H22F3N3O3/c1-19-8-6-17(5-3-10(15)16-18)4-2-7-20-9-11(12,13)14/h18H,2-9H2,1H3,(H2,15,16)
InChIKeyAWKFECLGUXJOFA-UHFFFAOYSA-N
XLogP1.04
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide (CID 76994125) is N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide is COCCN(CCCOCC(F)(F)F)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
The InChIKey is AWKFECLGUXJOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3/c1-19-8-6-17(5-3-10(15)16-18)4-2-7-20-9-11(12,13)14/h18H,2-9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide has a molecular weight of 301.31 g/mol, XLogP of 1.04, 11 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-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide is sourced from PubChem (CID 76994125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).