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

C6H4F6N2O2 — CID 76595213

IUPAC5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(C(F)(F)F)C(C(F)(F)F)N1
InChIInChI=1S/C6H4F6N2O2/c7-5(8,9)1-2(6(10,11)12)13-4(16)14-3(1)15/h1-2H,(H2,13,14,15,16)
InChIKeyWWQBVGMAMZKNSM-UHFFFAOYSA-N
MW250.10 g/mol
LogP0.94
Rot. Bonds

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

5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione (PubChem CID 76595213) has the molecular formula C6H4F6N2O2 and a molecular weight of 250.10 g/mol. Its IUPAC name is 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione
PubChem CID76595213
Molecular FormulaC6H4F6N2O2
Molecular Weight250.10 g/mol
Exact Mass250.02
IUPAC Name5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(C(F)(F)F)C(C(F)(F)F)N1
InChIInChI=1S/C6H4F6N2O2/c7-5(8,9)1-2(6(10,11)12)13-4(16)14-3(1)15/h1-2H,(H2,13,14,15,16)
InChIKeyWWQBVGMAMZKNSM-UHFFFAOYSA-N
XLogP0.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione (CID 76595213) is 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione is O=C1NC(=O)C(C(F)(F)F)C(C(F)(F)F)N1.
What is the InChIKey of 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione?
The InChIKey is WWQBVGMAMZKNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2O2/c7-5(8,9)1-2(6(10,11)12)13-4(16)14-3(1)15/h1-2H,(H2,13,14,15,16).
What are the key properties of 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione?
5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione has a molecular weight of 250.10 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76595213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).