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

C10H19F3N2 — CID 168742274

IUPACN-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide
SMILESCCC/C(=N\CC(F)(F)F)NC(C)(C)C
InChIInChI=1S/C10H19F3N2/c1-5-6-8(15-9(2,3)4)14-7-10(11,12)13/h5-7H2,1-4H3,(H,14,15)
InChIKeyXRQZGOFFYVLDKO-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.14
Rot. Bonds3

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

N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide (PubChem CID 168742274) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide
PubChem CID168742274
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide
SMILESCCC/C(=N\CC(F)(F)F)NC(C)(C)C
InChIInChI=1S/C10H19F3N2/c1-5-6-8(15-9(2,3)4)14-7-10(11,12)13/h5-7H2,1-4H3,(H,14,15)
InChIKeyXRQZGOFFYVLDKO-UHFFFAOYSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.14
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)butanimidamide?
The IUPAC name of N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide (CID 168742274) is N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide?
The canonical SMILES for N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide is CCC/C(=N\CC(F)(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide?
The InChIKey is XRQZGOFFYVLDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-5-6-8(15-9(2,3)4)14-7-10(11,12)13/h5-7H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide?
N-tert-butyl-N'-(2,2,2-trifluoroethyl)butanimidamide has a molecular weight of 224.27 g/mol, XLogP of 3.14, 3 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)butanimidamide is sourced from PubChem (CID 168742274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).