3-(2,2,2-trifluoroethoxy)butanimidamide

C6H11F3N2O — CID 114995833

IUPAC3-(2,2,2-trifluoroethoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(2-5(10)11)12-3-6(7,8)9/h4H,2-3H2,1H3,(H3,10,11)
InChIKeyMYEDWVWIKYSJSI-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.28
Rot. Bonds4

About 3-(2,2,2-trifluoroethoxy)butanimidamide

3-(2,2,2-trifluoroethoxy)butanimidamide (PubChem CID 114995833) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)butanimidamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)butanimidamide
PubChem CID114995833
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name3-(2,2,2-trifluoroethoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(2-5(10)11)12-3-6(7,8)9/h4H,2-3H2,1H3,(H3,10,11)
InChIKeyMYEDWVWIKYSJSI-UHFFFAOYSA-N
XLogP1.28
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)butanimidamide?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)butanimidamide (CID 114995833) is 3-(2,2,2-trifluoroethoxy)butanimidamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)butanimidamide?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)butanimidamide is [H]/N=C(\N)CC(C)OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)butanimidamide?
The InChIKey is MYEDWVWIKYSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-4(2-5(10)11)12-3-6(7,8)9/h4H,2-3H2,1H3,(H3,10,11).
What are the key properties of 3-(2,2,2-trifluoroethoxy)butanimidamide?
3-(2,2,2-trifluoroethoxy)butanimidamide has a molecular weight of 184.16 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)butanimidamide is sourced from PubChem (CID 114995833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).