N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide

C5H9F3N2O2 — CID 24693201

IUPACN'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide
SMILESN/C(CCOCC(F)(F)F)=N\O
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)3-12-2-1-4(9)10-11/h11H,1-3H2,(H2,9,10)
InChIKeyDGFVMQWFSFQARO-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.70
Rot. Bonds4

About N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide

N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide (PubChem CID 24693201) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide
PubChem CID24693201
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC NameN'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide
SMILESN/C(CCOCC(F)(F)F)=N\O
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)3-12-2-1-4(9)10-11/h11H,1-3H2,(H2,9,10)
InChIKeyDGFVMQWFSFQARO-UHFFFAOYSA-N
XLogP0.70
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethoxy)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide (CID 24693201) is N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide is N/C(CCOCC(F)(F)F)=N\O.
What is the InChIKey of N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide?
The InChIKey is DGFVMQWFSFQARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c6-5(7,8)3-12-2-1-4(9)10-11/h11H,1-3H2,(H2,9,10).
What are the key properties of N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide?
N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide has a molecular weight of 186.13 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2,2,2-trifluoroethoxy)propanimidamide is sourced from PubChem (CID 24693201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).