4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine

C15H21F2NO2 — CID 121300583

IUPAC4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)c(OC(F)F)c1
InChIInChI=1S/C15H21F2NO2/c1-15(2,3)11-4-5-12(13(10-11)20-14(16)17)18-6-8-19-9-7-18/h4-5,10,14H,6-9H2,1-3H3
InChIKeyLHTSWJDQEDMSMK-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.42
Rot. Bonds3

About 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine

4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine (PubChem CID 121300583) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine
PubChem CID121300583
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)c(OC(F)F)c1
InChIInChI=1S/C15H21F2NO2/c1-15(2,3)11-4-5-12(13(10-11)20-14(16)17)18-6-8-19-9-7-18/h4-5,10,14H,6-9H2,1-3H3
InChIKeyLHTSWJDQEDMSMK-UHFFFAOYSA-N
XLogP3.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine?
The IUPAC name of 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine (CID 121300583) is 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine.
What is the SMILES notation for 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine?
The canonical SMILES for 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine is CC(C)(C)c1ccc(N2CCOCC2)c(OC(F)F)c1.
What is the InChIKey of 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine?
The InChIKey is LHTSWJDQEDMSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-15(2,3)11-4-5-12(13(10-11)20-14(16)17)18-6-8-19-9-7-18/h4-5,10,14H,6-9H2,1-3H3.
What are the key properties of 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine?
4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine has a molecular weight of 285.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine is sourced from PubChem (CID 121300583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).