N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide

C11H14F2N2 — CID 123511038

IUPACN-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide
SMILESCC/C(=N\C)NCc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c1-3-11(14-2)15-7-8-9(12)5-4-6-10(8)13/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyGJNPGJOXPQFPBG-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.49
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide

N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide (PubChem CID 123511038) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide
PubChem CID123511038
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide
SMILESCC/C(=N\C)NCc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c1-3-11(14-2)15-7-8-9(12)5-4-6-10(8)13/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyGJNPGJOXPQFPBG-UHFFFAOYSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.49
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-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide (CID 123511038) is N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide is CC/C(=N\C)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide?
The InChIKey is GJNPGJOXPQFPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-3-11(14-2)15-7-8-9(12)5-4-6-10(8)13/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide?
N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide has a molecular weight of 212.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N'-methylpropanimidamide is sourced from PubChem (CID 123511038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).