6-(4-fluorophenyl)-1,3-diazinane-2,4-dione

C10H9FN2O2 — CID 67054985

IUPAC6-(4-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)
InChIKeyLQDPBXVPEPBXJX-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.10
Rot. Bonds1

About 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione

6-(4-fluorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 67054985) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,3-diazinane-2,4-dione
PubChem CID67054985
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name6-(4-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)
InChIKeyLQDPBXVPEPBXJX-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione (CID 67054985) is 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione is O=C1CC(c2ccc(F)cc2)NC(=O)N1.
What is the InChIKey of 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is LQDPBXVPEPBXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15).
What are the key properties of 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione?
6-(4-fluorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 208.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 67054985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).