5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione

C7H5F7N2O3 — CID 88711666

IUPAC5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(F)C(OC(F)(C(F)F)C(F)(F)F)N1
InChIInChI=1S/C7H5F7N2O3/c8-1-2(17)15-5(18)16-3(1)19-6(11,4(9)10)7(12,13)14/h1,3-4H,(H2,15,16,17,18)
InChIKeyOKFAMOSNPAZMSY-UHFFFAOYSA-N
MW298.11 g/mol
LogP1.00
Rot. Bonds3

About 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione

5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione (PubChem CID 88711666) has the molecular formula C7H5F7N2O3 and a molecular weight of 298.11 g/mol. Its IUPAC name is 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione
PubChem CID88711666
Molecular FormulaC7H5F7N2O3
Molecular Weight298.11 g/mol
Exact Mass298.02
IUPAC Name5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)C(F)C(OC(F)(C(F)F)C(F)(F)F)N1
InChIInChI=1S/C7H5F7N2O3/c8-1-2(17)15-5(18)16-3(1)19-6(11,4(9)10)7(12,13)14/h1,3-4H,(H2,15,16,17,18)
InChIKeyOKFAMOSNPAZMSY-UHFFFAOYSA-N
XLogP1.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione (CID 88711666) is 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione is O=C1NC(=O)C(F)C(OC(F)(C(F)F)C(F)(F)F)N1.
What is the InChIKey of 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione?
The InChIKey is OKFAMOSNPAZMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7N2O3/c8-1-2(17)15-5(18)16-3(1)19-6(11,4(9)10)7(12,13)14/h1,3-4H,(H2,15,16,17,18).
What are the key properties of 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione?
5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione has a molecular weight of 298.11 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 88711666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).