1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one

C11H13FN2O — CID 4084096

IUPAC1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c12-10-4-2-9(3-5-10)8-14-7-1-6-13-11(14)15/h2-5H,1,6-8H2,(H,13,15)
InChIKeyXRZVQKKZHZYLBC-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.74
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one

1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one (PubChem CID 4084096) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one
PubChem CID4084096
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c12-10-4-2-9(3-5-10)8-14-7-1-6-13-11(14)15/h2-5H,1,6-8H2,(H,13,15)
InChIKeyXRZVQKKZHZYLBC-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one (CID 4084096) is 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one is O=C1NCCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one?
The InChIKey is XRZVQKKZHZYLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-10-4-2-9(3-5-10)8-14-7-1-6-13-11(14)15/h2-5H,1,6-8H2,(H,13,15).
What are the key properties of 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one?
1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 4084096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).