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

C18H16F3NO2 — CID 25183174

IUPAC6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C18H16F3NO2/c1-17(13-5-3-2-4-6-13)11-12-22(16(23)24-17)15-9-7-14(8-10-15)18(19,20)21/h2-10H,11-12H2,1H3
InChIKeyNUUXEFJESCRPHO-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.97
Rot. Bonds2

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

6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one (PubChem CID 25183174) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
PubChem CID25183174
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C18H16F3NO2/c1-17(13-5-3-2-4-6-13)11-12-22(16(23)24-17)15-9-7-14(8-10-15)18(19,20)21/h2-10H,11-12H2,1H3
InChIKeyNUUXEFJESCRPHO-UHFFFAOYSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one (CID 25183174) is 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2ccc(C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one?
The InChIKey is NUUXEFJESCRPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-17(13-5-3-2-4-6-13)11-12-22(16(23)24-17)15-9-7-14(8-10-15)18(19,20)21/h2-10H,11-12H2,1H3.
What are the key properties of 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one?
6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one has a molecular weight of 335.33 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 25183174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).