4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one

C25H22F3NO3 — CID 22949121

IUPAC4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
SMILESCN1C(Cc2ccc(OC(F)(F)F)cc2)C(=O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H22F3NO3/c1-29-21(16-17-12-14-20(15-13-17)32-25(26,27)28)24(30)31-23(19-10-6-3-7-11-19)22(29)18-8-4-2-5-9-18/h2-15,21-23H,16H2,1H3
InChIKeySYWFVULUMHLCBM-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.47
Rot. Bonds5

About 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one

4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one (PubChem CID 22949121) has the molecular formula C25H22F3NO3 and a molecular weight of 441.45 g/mol. Its IUPAC name is 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one.

Molecular Properties

Compound Name4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
PubChem CID22949121
Molecular FormulaC25H22F3NO3
Molecular Weight441.45 g/mol
Exact Mass441.16
IUPAC Name4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
SMILESCN1C(Cc2ccc(OC(F)(F)F)cc2)C(=O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H22F3NO3/c1-29-21(16-17-12-14-20(15-13-17)32-25(26,27)28)24(30)31-23(19-10-6-3-7-11-19)22(29)18-8-4-2-5-9-18/h2-15,21-23H,16H2,1H3
InChIKeySYWFVULUMHLCBM-UHFFFAOYSA-N
XLogP5.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
The IUPAC name of 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one (CID 22949121) is 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one.
What is the SMILES notation for 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
The canonical SMILES for 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one is CN1C(Cc2ccc(OC(F)(F)F)cc2)C(=O)OC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
The InChIKey is SYWFVULUMHLCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO3/c1-29-21(16-17-12-14-20(15-13-17)32-25(26,27)28)24(30)31-23(19-10-6-3-7-11-19)22(29)18-8-4-2-5-9-18/h2-15,21-23H,16H2,1H3.
What are the key properties of 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one has a molecular weight of 441.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one is sourced from PubChem (CID 22949121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).