1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione

C12H13FN2O2 — CID 79778174

IUPAC1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCc2ccccc2F)C(=O)N1
InChIInChI=1S/C12H13FN2O2/c13-10-4-2-1-3-9(10)5-7-15-8-6-11(16)14-12(15)17/h1-4H,5-8H2,(H,14,16,17)
InChIKeyDJPJFMLZSTZKAF-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.31
Rot. Bonds3

About 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione

1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 79778174) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID79778174
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCc2ccccc2F)C(=O)N1
InChIInChI=1S/C12H13FN2O2/c13-10-4-2-1-3-9(10)5-7-15-8-6-11(16)14-12(15)17/h1-4H,5-8H2,(H,14,16,17)
InChIKeyDJPJFMLZSTZKAF-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione (CID 79778174) is 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione is O=C1CCN(CCc2ccccc2F)C(=O)N1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is DJPJFMLZSTZKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-10-4-2-1-3-9(10)5-7-15-8-6-11(16)14-12(15)17/h1-4H,5-8H2,(H,14,16,17).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione?
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 236.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79778174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).