1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione

C7H9F3N2O2 — CID 78292189

IUPAC1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(C(F)(F)F)N(C)C1=O
InChIInChI=1S/C7H9F3N2O2/c1-11-4(7(8,9)10)3-5(13)12(2)6(11)14/h4H,3H2,1-2H3
InChIKeyMZDPOBUQXAXMPM-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.83
Rot. Bonds

About 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione

1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione (PubChem CID 78292189) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
PubChem CID78292189
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(C(F)(F)F)N(C)C1=O
InChIInChI=1S/C7H9F3N2O2/c1-11-4(7(8,9)10)3-5(13)12(2)6(11)14/h4H,3H2,1-2H3
InChIKeyMZDPOBUQXAXMPM-UHFFFAOYSA-N
XLogP0.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione (CID 78292189) is 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione is CN1C(=O)CC(C(F)(F)F)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The InChIKey is MZDPOBUQXAXMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-11-4(7(8,9)10)3-5(13)12(2)6(11)14/h4H,3H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione?
1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione has a molecular weight of 210.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78292189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).