2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide

C7H14F2N2 — CID 163657655

IUPAC2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide
SMILESC/N=C(\NC(C)C)C(C)(F)F
InChIInChI=1S/C7H14F2N2/c1-5(2)11-6(10-4)7(3,8)9/h5H,1-4H3,(H,10,11)
InChIKeyIRQLMTBWJHXRMO-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.67
Rot. Bonds2

About 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide

2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide (PubChem CID 163657655) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide.

Molecular Properties

Compound Name2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide
PubChem CID163657655
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide
SMILESC/N=C(\NC(C)C)C(C)(F)F
InChIInChI=1S/C7H14F2N2/c1-5(2)11-6(10-4)7(3,8)9/h5H,1-4H3,(H,10,11)
InChIKeyIRQLMTBWJHXRMO-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.67
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 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide?
The IUPAC name of 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide (CID 163657655) is 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide.
What is the SMILES notation for 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide?
The canonical SMILES for 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide is C/N=C(\NC(C)C)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide?
The InChIKey is IRQLMTBWJHXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(2)11-6(10-4)7(3,8)9/h5H,1-4H3,(H,10,11).
What are the key properties of 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide?
2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide has a molecular weight of 164.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide is sourced from PubChem (CID 163657655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).