1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione

C6H7F3N2O2 — CID 77019819

IUPAC1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CC(F)(F)F)C(=O)N1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)3-11-2-1-4(12)10-5(11)13/h1-3H2,(H,10,12,13)
InChIKeyXEILHGMINQBMQP-UHFFFAOYSA-N
MW196.13 g/mol
LogP0.49
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione

1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione (PubChem CID 77019819) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione
PubChem CID77019819
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CC(F)(F)F)C(=O)N1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)3-11-2-1-4(12)10-5(11)13/h1-3H2,(H,10,12,13)
InChIKeyXEILHGMINQBMQP-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione (CID 77019819) is 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione is O=C1CCN(CC(F)(F)F)C(=O)N1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione?
The InChIKey is XEILHGMINQBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)3-11-2-1-4(12)10-5(11)13/h1-3H2,(H,10,12,13).
What are the key properties of 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione?
1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione has a molecular weight of 196.13 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77019819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).