2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one

C10H17F3N2O — CID 176833662

IUPAC2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCNC(C(F)(F)F)N1
InChIInChI=1S/C10H17F3N2O/c1-9(2,3)7(16)6-4-5-14-8(15-6)10(11,12)13/h6,8,14-15H,4-5H2,1-3H3
InChIKeyJGDVGIJFRQYHTR-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds1

About 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one

2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one (PubChem CID 176833662) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one
PubChem CID176833662
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCNC(C(F)(F)F)N1
InChIInChI=1S/C10H17F3N2O/c1-9(2,3)7(16)6-4-5-14-8(15-6)10(11,12)13/h6,8,14-15H,4-5H2,1-3H3
InChIKeyJGDVGIJFRQYHTR-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one (CID 176833662) is 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one is CC(C)(C)C(=O)C1CCNC(C(F)(F)F)N1.
What is the InChIKey of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one?
The InChIKey is JGDVGIJFRQYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(2,3)7(16)6-4-5-14-8(15-6)10(11,12)13/h6,8,14-15H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one?
2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one has a molecular weight of 238.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one is sourced from PubChem (CID 176833662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).