6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine

C9H15F2N3 — CID 155700756

IUPAC6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CCCC(F)(F)N1/C(=N/[H])C(C)C
InChIInChI=1S/C9H15F2N3/c1-6(2)8(13)14-7(12)4-3-5-9(14,10)11/h6,12-13H,3-5H2,1-2H3/b12-7+,13-8+
InChIKeyBRERYFPWNJZBFJ-INOXDZRUSA-N
MW203.24 g/mol
LogP2.68
Rot. Bonds1

About 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine

6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine (PubChem CID 155700756) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine.

Molecular Properties

Compound Name6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
PubChem CID155700756
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CCCC(F)(F)N1/C(=N/[H])C(C)C
InChIInChI=1S/C9H15F2N3/c1-6(2)8(13)14-7(12)4-3-5-9(14,10)11/h6,12-13H,3-5H2,1-2H3/b12-7+,13-8+
InChIKeyBRERYFPWNJZBFJ-INOXDZRUSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
The IUPAC name of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine (CID 155700756) is 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine.
What is the SMILES notation for 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
The canonical SMILES for 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine is [H]/N=C1\CCCC(F)(F)N1/C(=N/[H])C(C)C.
What is the InChIKey of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
The InChIKey is BRERYFPWNJZBFJ-INOXDZRUSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-6(2)8(13)14-7(12)4-3-5-9(14,10)11/h6,12-13H,3-5H2,1-2H3/b12-7+,13-8+.
What are the key properties of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine has a molecular weight of 203.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine is sourced from PubChem (CID 155700756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).