5-(trifluoromethyl)-1,3-diazinane-2,4-dione

C5H5F3N2O2 — CID 5638

IUPAC5-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h2H,1H2,(H2,9,10,11,12)
InChIKeyACYJXCFDMOGNSM-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.00
Rot. Bonds

About 5-(trifluoromethyl)-1,3-diazinane-2,4-dione

5-(trifluoromethyl)-1,3-diazinane-2,4-dione (PubChem CID 5638) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-diazinane-2,4-dione
PubChem CID5638
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name5-(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h2H,1H2,(H2,9,10,11,12)
InChIKeyACYJXCFDMOGNSM-UHFFFAOYSA-N
XLogP0.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(trifluoromethyl)-1,3-diazinane-2,4-dione (CID 5638) is 5-(trifluoromethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(trifluoromethyl)-1,3-diazinane-2,4-dione is O=C1NCC(C(F)(F)F)C(=O)N1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
The InChIKey is ACYJXCFDMOGNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h2H,1H2,(H2,9,10,11,12).
What are the key properties of 5-(trifluoromethyl)-1,3-diazinane-2,4-dione?
5-(trifluoromethyl)-1,3-diazinane-2,4-dione has a molecular weight of 182.10 g/mol, XLogP of 0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 5638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).