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

C10H18F2N2O — CID 176834251

IUPAC1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCNC(C(F)F)N1
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)7(15)6-4-5-13-9(14-6)8(11)12/h6,8-9,13-14H,4-5H2,1-3H3
InChIKeyMNKIFWCHZMCSCH-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.14
Rot. Bonds2

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

1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 176834251) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one
PubChem CID176834251
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCNC(C(F)F)N1
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)7(15)6-4-5-13-9(14-6)8(11)12/h6,8-9,13-14H,4-5H2,1-3H3
InChIKeyMNKIFWCHZMCSCH-UHFFFAOYSA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one (CID 176834251) is 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCNC(C(F)F)N1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is MNKIFWCHZMCSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-10(2,3)7(15)6-4-5-13-9(14-6)8(11)12/h6,8-9,13-14H,4-5H2,1-3H3.
What are the key properties of 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one?
1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 220.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176834251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).