5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C16H12F2N2O2 — CID 137462652

IUPAC5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1cc(F)ccc1-c1ccc(C2=NNC(=O)OC2)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-9-6-11(17)3-5-12(9)13-4-2-10(7-14(13)18)15-8-22-16(21)20-19-15/h2-7H,8H2,1H3,(H,20,21)
InChIKeyPZFSVERLFTZCIW-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.38
Rot. Bonds2

About 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462652) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462652
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCc1cc(F)ccc1-c1ccc(C2=NNC(=O)OC2)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-9-6-11(17)3-5-12(9)13-4-2-10(7-14(13)18)15-8-22-16(21)20-19-15/h2-7H,8H2,1H3,(H,20,21)
InChIKeyPZFSVERLFTZCIW-UHFFFAOYSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462652) is 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is Cc1cc(F)ccc1-c1ccc(C2=NNC(=O)OC2)cc1F.
What is the InChIKey of 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is PZFSVERLFTZCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-9-6-11(17)3-5-12(9)13-4-2-10(7-14(13)18)15-8-22-16(21)20-19-15/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 302.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).