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

C8H16F2N2 — CID 168742246

IUPACN-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide
SMILESC/C(=N\CC(F)F)NC(C)(C)C
InChIInChI=1S/C8H16F2N2/c1-6(11-5-7(9)10)12-8(2,3)4/h7H,5H2,1-4H3,(H,11,12)
InChIKeyLUYYETARYIDRAM-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.06
Rot. Bonds2

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

N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide (PubChem CID 168742246) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide
PubChem CID168742246
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide
SMILESC/C(=N\CC(F)F)NC(C)(C)C
InChIInChI=1S/C8H16F2N2/c1-6(11-5-7(9)10)12-8(2,3)4/h7H,5H2,1-4H3,(H,11,12)
InChIKeyLUYYETARYIDRAM-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.06
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-difluoroethyl)ethanimidamide?
The IUPAC name of N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide (CID 168742246) is N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide?
The canonical SMILES for N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide is C/C(=N\CC(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide?
The InChIKey is LUYYETARYIDRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-6(11-5-7(9)10)12-8(2,3)4/h7H,5H2,1-4H3,(H,11,12).
What are the key properties of N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide?
N-tert-butyl-N'-(2,2-difluoroethyl)ethanimidamide has a molecular weight of 178.23 g/mol, XLogP of 2.06, 2 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-difluoroethyl)ethanimidamide is sourced from PubChem (CID 168742246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).