1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one

C11H20F2N2O — CID 176834000

IUPAC1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1NC(C(=O)C(C)(C)C)NCC1C(F)F
InChIInChI=1S/C11H20F2N2O/c1-6-7(9(12)13)5-14-10(15-6)8(16)11(2,3)4/h6-7,9-10,14-15H,5H2,1-4H3
InChIKeyVMOKGBBUJBLZDC-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.39
Rot. Bonds2

About 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one

1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176834000) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176834000
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1NC(C(=O)C(C)(C)C)NCC1C(F)F
InChIInChI=1S/C11H20F2N2O/c1-6-7(9(12)13)5-14-10(15-6)8(16)11(2,3)4/h6-7,9-10,14-15H,5H2,1-4H3
InChIKeyVMOKGBBUJBLZDC-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one (CID 176834000) is 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one is CC1NC(C(=O)C(C)(C)C)NCC1C(F)F.
What is the InChIKey of 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is VMOKGBBUJBLZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-6-7(9(12)13)5-14-10(15-6)8(16)11(2,3)4/h6-7,9-10,14-15H,5H2,1-4H3.
What are the key properties of 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one?
1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 234.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176834000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).