N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide

C11H22F2N2 — CID 168742260

IUPACN-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide
SMILESCCC/C(=N\C(C)C(F)F)NC(C)(C)C
InChIInChI=1S/C11H22F2N2/c1-6-7-9(15-11(3,4)5)14-8(2)10(12)13/h8,10H,6-7H2,1-5H3,(H,14,15)
InChIKeyXRJVSBNYWRABMX-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.23
Rot. Bonds4

About N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide

N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide (PubChem CID 168742260) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide
PubChem CID168742260
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC NameN-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide
SMILESCCC/C(=N\C(C)C(F)F)NC(C)(C)C
InChIInChI=1S/C11H22F2N2/c1-6-7-9(15-11(3,4)5)14-8(2)10(12)13/h8,10H,6-7H2,1-5H3,(H,14,15)
InChIKeyXRJVSBNYWRABMX-UHFFFAOYSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.23
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'-(1,1-difluoropropan-2-yl)butanimidamide?
The IUPAC name of N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide (CID 168742260) is N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide?
The canonical SMILES for N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide is CCC/C(=N\C(C)C(F)F)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide?
The InChIKey is XRJVSBNYWRABMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-6-7-9(15-11(3,4)5)14-8(2)10(12)13/h8,10H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide?
N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide has a molecular weight of 220.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(1,1-difluoropropan-2-yl)butanimidamide is sourced from PubChem (CID 168742260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).