1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride

C10H11ClFN3O2 — CID 170914337

IUPAC1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.Nc1cc(N2CCC(=O)NC2=O)ccc1F
InChIInChI=1S/C10H10FN3O2.ClH/c11-7-2-1-6(5-8(7)12)14-4-3-9(15)13-10(14)16;/h1-2,5H,3-4,12H2,(H,13,15,16);1H
InChIKeySBKWFLNBSJIZPJ-UHFFFAOYSA-N
MW259.67 g/mol
LogP1.28
Rot. Bonds1

About 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride

1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 170914337) has the molecular formula C10H11ClFN3O2 and a molecular weight of 259.67 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID170914337
Molecular FormulaC10H11ClFN3O2
Molecular Weight259.67 g/mol
Exact Mass259.05
IUPAC Name1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.Nc1cc(N2CCC(=O)NC2=O)ccc1F
InChIInChI=1S/C10H10FN3O2.ClH/c11-7-2-1-6(5-8(7)12)14-4-3-9(15)13-10(14)16;/h1-2,5H,3-4,12H2,(H,13,15,16);1H
InChIKeySBKWFLNBSJIZPJ-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride (CID 170914337) is 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride is Cl.Nc1cc(N2CCC(=O)NC2=O)ccc1F.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is SBKWFLNBSJIZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2.ClH/c11-7-2-1-6(5-8(7)12)14-4-3-9(15)13-10(14)16;/h1-2,5H,3-4,12H2,(H,13,15,16);1H.
What are the key properties of 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride?
1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 259.67 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 170914337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).