2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine

C25H21F6NO2 — CID 10116738

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine
SMILESFC(F)(F)c1cc(COC2OCC(c3ccccc3)NC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)19-11-16(12-20(13-19)25(29,30)31)14-33-23-22(18-9-5-2-6-10-18)32-21(15-34-23)17-7-3-1-4-8-17/h1-13,21-23,32H,14-15H2
InChIKeyCYBHDFOHUGLNEW-UHFFFAOYSA-N
MW481.44 g/mol
LogP6.67
Rot. Bonds5

About 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine

2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine (PubChem CID 10116738) has the molecular formula C25H21F6NO2 and a molecular weight of 481.44 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine
PubChem CID10116738
Molecular FormulaC25H21F6NO2
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine
SMILESFC(F)(F)c1cc(COC2OCC(c3ccccc3)NC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)19-11-16(12-20(13-19)25(29,30)31)14-33-23-22(18-9-5-2-6-10-18)32-21(15-34-23)17-7-3-1-4-8-17/h1-13,21-23,32H,14-15H2
InChIKeyCYBHDFOHUGLNEW-UHFFFAOYSA-N
XLogP6.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine (CID 10116738) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine is FC(F)(F)c1cc(COC2OCC(c3ccccc3)NC2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine?
The InChIKey is CYBHDFOHUGLNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO2/c26-24(27,28)19-11-16(12-20(13-19)25(29,30)31)14-33-23-22(18-9-5-2-6-10-18)32-21(15-34-23)17-7-3-1-4-8-17/h1-13,21-23,32H,14-15H2.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine has a molecular weight of 481.44 g/mol, XLogP of 6.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-diphenylmorpholine is sourced from PubChem (CID 10116738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).