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

C10H8ClFN2O2 — CID 79777058

IUPAC1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(F)cc2Cl)C(=O)N1
InChIInChI=1S/C10H8ClFN2O2/c11-7-5-6(12)1-2-8(7)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16)
InChIKeyXFDWYWMACBAVME-UHFFFAOYSA-N
MW242.64 g/mol
LogP1.93
Rot. Bonds1

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

1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 79777058) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione
PubChem CID79777058
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(F)cc2Cl)C(=O)N1
InChIInChI=1S/C10H8ClFN2O2/c11-7-5-6(12)1-2-8(7)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16)
InChIKeyXFDWYWMACBAVME-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione (CID 79777058) is 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(F)cc2Cl)C(=O)N1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is XFDWYWMACBAVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c11-7-5-6(12)1-2-8(7)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione?
1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 242.64 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).