N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide

C8H15F3N2 — CID 168742247

IUPACN-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC/C(=N\CC(F)(F)F)NC(C)(C)C
InChIInChI=1S/C8H15F3N2/c1-6(13-7(2,3)4)12-5-8(9,10)11/h5H2,1-4H3,(H,12,13)
InChIKeyQOIAUIAFNDPMIU-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.36
Rot. Bonds1

About N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide

N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide (PubChem CID 168742247) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
PubChem CID168742247
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC NameN-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC/C(=N\CC(F)(F)F)NC(C)(C)C
InChIInChI=1S/C8H15F3N2/c1-6(13-7(2,3)4)12-5-8(9,10)11/h5H2,1-4H3,(H,12,13)
InChIKeyQOIAUIAFNDPMIU-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The IUPAC name of N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide (CID 168742247) is N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The canonical SMILES for N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide is C/C(=N\CC(F)(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The InChIKey is QOIAUIAFNDPMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-6(13-7(2,3)4)12-5-8(9,10)11/h5H2,1-4H3,(H,12,13).
What are the key properties of N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide has a molecular weight of 196.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,2,2-trifluoroethyl)ethanimidamide is sourced from PubChem (CID 168742247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).