6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione

C5H3F6N3O2 — CID 24974833

IUPAC6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1
InChIInChI=1S/C5H3F6N3O2/c6-4(7,8)3(5(9,10)11)13-1(15)12-2(16)14-3/h(H3,12,13,14,15,16)
InChIKeyZHZZGLNHDLHWNJ-UHFFFAOYSA-N
MW251.09 g/mol
LogP0.83
Rot. Bonds

About 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione

6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 24974833) has the molecular formula C5H3F6N3O2 and a molecular weight of 251.09 g/mol. Its IUPAC name is 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione
PubChem CID24974833
Molecular FormulaC5H3F6N3O2
Molecular Weight251.09 g/mol
Exact Mass251.01
IUPAC Name6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1
InChIInChI=1S/C5H3F6N3O2/c6-4(7,8)3(5(9,10)11)13-1(15)12-2(16)14-3/h(H3,12,13,14,15,16)
InChIKeyZHZZGLNHDLHWNJ-UHFFFAOYSA-N
XLogP0.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione (CID 24974833) is 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione is O=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1.
What is the InChIKey of 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is ZHZZGLNHDLHWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N3O2/c6-4(7,8)3(5(9,10)11)13-1(15)12-2(16)14-3/h(H3,12,13,14,15,16).
What are the key properties of 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione?
6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 251.09 g/mol, XLogP of 0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(trifluoromethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 24974833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).