1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one

C10H7F5N2O — CID 115565456

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5N2O/c11-4-5(12)7(14)9(8(15)6(4)13)17-3-1-2-16-10(17)18/h1-3H2,(H,16,18)
InChIKeyKWGGOSDAMJAFMO-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.30
Rot. Bonds1

About 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one

1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one (PubChem CID 115565456) has the molecular formula C10H7F5N2O and a molecular weight of 266.17 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one
PubChem CID115565456
Molecular FormulaC10H7F5N2O
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F5N2O/c11-4-5(12)7(14)9(8(15)6(4)13)17-3-1-2-16-10(17)18/h1-3H2,(H,16,18)
InChIKeyKWGGOSDAMJAFMO-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one (CID 115565456) is 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one is O=C1NCCCN1c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one?
The InChIKey is KWGGOSDAMJAFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O/c11-4-5(12)7(14)9(8(15)6(4)13)17-3-1-2-16-10(17)18/h1-3H2,(H,16,18).
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one?
1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one has a molecular weight of 266.17 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115565456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).