N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide

C7H13F3N2O2 — CID 82955479

IUPACN'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide
SMILESNC(CCCOCCC(F)(F)F)=NO
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)3-5-14-4-1-2-6(11)12-13/h13H,1-5H2,(H2,11,12)
InChIKeyAKHUXRSJOHSYGQ-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.48
Rot. Bonds6

About N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide

N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide (PubChem CID 82955479) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide
PubChem CID82955479
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide
SMILESNC(CCCOCCC(F)(F)F)=NO
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)3-5-14-4-1-2-6(11)12-13/h13H,1-5H2,(H2,11,12)
InChIKeyAKHUXRSJOHSYGQ-UHFFFAOYSA-N
XLogP1.48
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.48
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'}

Analyze N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide (CID 82955479) is N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide is NC(CCCOCCC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide?
The InChIKey is AKHUXRSJOHSYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)3-5-14-4-1-2-6(11)12-13/h13H,1-5H2,(H2,11,12).
What are the key properties of N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide?
N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide has a molecular weight of 214.19 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3,3,3-trifluoropropoxy)butanimidamide is sourced from PubChem (CID 82955479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).