3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine

C22H26F3NO2 — CID 139726898

IUPAC3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine
SMILESCC(C)(C)C1(c2ccccc2)COCC(C(F)(F)F)N1OCc1ccccc1
InChIInChI=1S/C22H26F3NO2/c1-20(2,3)21(18-12-8-5-9-13-18)16-27-15-19(22(23,24)25)26(21)28-14-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3
InChIKeyXUFXZZRZOZXBNC-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.32
Rot. Bonds4

About 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine

3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine (PubChem CID 139726898) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine
PubChem CID139726898
Molecular FormulaC22H26F3NO2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine
SMILESCC(C)(C)C1(c2ccccc2)COCC(C(F)(F)F)N1OCc1ccccc1
InChIInChI=1S/C22H26F3NO2/c1-20(2,3)21(18-12-8-5-9-13-18)16-27-15-19(22(23,24)25)26(21)28-14-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3
InChIKeyXUFXZZRZOZXBNC-UHFFFAOYSA-N
XLogP5.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine?
The IUPAC name of 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine (CID 139726898) is 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine.
What is the SMILES notation for 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine?
The canonical SMILES for 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine is CC(C)(C)C1(c2ccccc2)COCC(C(F)(F)F)N1OCc1ccccc1.
What is the InChIKey of 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine?
The InChIKey is XUFXZZRZOZXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-20(2,3)21(18-12-8-5-9-13-18)16-27-15-19(22(23,24)25)26(21)28-14-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3.
What are the key properties of 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine?
3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine has a molecular weight of 393.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-phenyl-4-phenylmethoxy-5-(trifluoromethyl)morpholine is sourced from PubChem (CID 139726898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).