2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one

C12H8F3NO2 — CID 132519839

IUPAC2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)o1
InChIInChI=1S/C12H8F3NO2/c1-7-16-10(6-11(17)18-7)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H3
InChIKeyZJSGMZOJJUTSRX-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.03
Rot. Bonds1

About 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one

2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one (PubChem CID 132519839) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one
PubChem CID132519839
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)o1
InChIInChI=1S/C12H8F3NO2/c1-7-16-10(6-11(17)18-7)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H3
InChIKeyZJSGMZOJJUTSRX-UHFFFAOYSA-N
XLogP3.03
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one (CID 132519839) is 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one is Cc1nc(-c2ccc(C(F)(F)F)cc2)cc(=O)o1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one?
The InChIKey is ZJSGMZOJJUTSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-7-16-10(6-11(17)18-7)8-2-4-9(5-3-8)12(13,14)15/h2-6H,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one?
2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one has a molecular weight of 255.19 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazin-6-one is sourced from PubChem (CID 132519839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).