4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

C8H13F3N2O — CID 67976487

IUPAC4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESCC1CN(CC(F)(F)F)C(=O)NC1C
InChIInChI=1S/C8H13F3N2O/c1-5-3-13(4-8(9,10)11)7(14)12-6(5)2/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyHHFBUCLRGSBUGI-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.60
Rot. Bonds1

About 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (PubChem CID 67976487) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
PubChem CID67976487
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESCC1CN(CC(F)(F)F)C(=O)NC1C
InChIInChI=1S/C8H13F3N2O/c1-5-3-13(4-8(9,10)11)7(14)12-6(5)2/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyHHFBUCLRGSBUGI-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The IUPAC name of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (CID 67976487) is 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The canonical SMILES for 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is CC1CN(CC(F)(F)F)C(=O)NC1C.
What is the InChIKey of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The InChIKey is HHFBUCLRGSBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-5-3-13(4-8(9,10)11)7(14)12-6(5)2/h5-6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one has a molecular weight of 210.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 67976487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).