4-(2,2,2-trifluoroethoxy)butanimidamide

C6H11F3N2O — CID 24695506

IUPAC4-(2,2,2-trifluoroethoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)4-12-3-1-2-5(10)11/h1-4H2,(H3,10,11)
InChIKeyDVBKFIXMMUBVLB-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.28
Rot. Bonds5

About 4-(2,2,2-trifluoroethoxy)butanimidamide

4-(2,2,2-trifluoroethoxy)butanimidamide (PubChem CID 24695506) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)butanimidamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)butanimidamide
PubChem CID24695506
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name4-(2,2,2-trifluoroethoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)4-12-3-1-2-5(10)11/h1-4H2,(H3,10,11)
InChIKeyDVBKFIXMMUBVLB-UHFFFAOYSA-N
XLogP1.28
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 4-(2,2,2-trifluoroethoxy)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 4-(2,2,2-trifluoroethoxy)butanimidamide?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)butanimidamide (CID 24695506) is 4-(2,2,2-trifluoroethoxy)butanimidamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)butanimidamide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)butanimidamide is [H]/N=C(\N)CCCOCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)butanimidamide?
The InChIKey is DVBKFIXMMUBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c7-6(8,9)4-12-3-1-2-5(10)11/h1-4H2,(H3,10,11).
What are the key properties of 4-(2,2,2-trifluoroethoxy)butanimidamide?
4-(2,2,2-trifluoroethoxy)butanimidamide has a molecular weight of 184.16 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)butanimidamide is sourced from PubChem (CID 24695506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).