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

C9H18F2N2 — CID 168742358

IUPACN-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide
SMILESCC/C(=N\CC(F)F)NC(C)(C)C
InChIInChI=1S/C9H18F2N2/c1-5-8(12-6-7(10)11)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyQOQCZZGVJKONEP-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.45
Rot. Bonds3

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

N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide (PubChem CID 168742358) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide
PubChem CID168742358
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC NameN-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide
SMILESCC/C(=N\CC(F)F)NC(C)(C)C
InChIInChI=1S/C9H18F2N2/c1-5-8(12-6-7(10)11)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyQOQCZZGVJKONEP-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.45
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)propanimidamide?
The IUPAC name of N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide (CID 168742358) is N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide?
The canonical SMILES for N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide is CC/C(=N\CC(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide?
The InChIKey is QOQCZZGVJKONEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-5-8(12-6-7(10)11)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide?
N-tert-butyl-N'-(2,2-difluoroethyl)propanimidamide has a molecular weight of 192.25 g/mol, XLogP of 2.45, 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-difluoroethyl)propanimidamide is sourced from PubChem (CID 168742358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).