4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine

C24H22F3NO2 — CID 66653794

IUPAC4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine
SMILESFC(F)(F)c1cccc(Oc2ccc(C3CN(Cc4ccccc4)CCO3)cc2)c1
InChIInChI=1S/C24H22F3NO2/c25-24(26,27)20-7-4-8-22(15-20)30-21-11-9-19(10-12-21)23-17-28(13-14-29-23)16-18-5-2-1-3-6-18/h1-12,15,23H,13-14,16-17H2
InChIKeyPRVFDBCNQHEPHK-UHFFFAOYSA-N
MW413.44 g/mol
LogP6.07
Rot. Bonds5

About 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine

4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine (PubChem CID 66653794) has the molecular formula C24H22F3NO2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine
PubChem CID66653794
Molecular FormulaC24H22F3NO2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine
SMILESFC(F)(F)c1cccc(Oc2ccc(C3CN(Cc4ccccc4)CCO3)cc2)c1
InChIInChI=1S/C24H22F3NO2/c25-24(26,27)20-7-4-8-22(15-20)30-21-11-9-19(10-12-21)23-17-28(13-14-29-23)16-18-5-2-1-3-6-18/h1-12,15,23H,13-14,16-17H2
InChIKeyPRVFDBCNQHEPHK-UHFFFAOYSA-N
XLogP6.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine?
The IUPAC name of 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine (CID 66653794) is 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine?
The canonical SMILES for 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine is FC(F)(F)c1cccc(Oc2ccc(C3CN(Cc4ccccc4)CCO3)cc2)c1.
What is the InChIKey of 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine?
The InChIKey is PRVFDBCNQHEPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO2/c25-24(26,27)20-7-4-8-22(15-20)30-21-11-9-19(10-12-21)23-17-28(13-14-29-23)16-18-5-2-1-3-6-18/h1-12,15,23H,13-14,16-17H2.
What are the key properties of 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine?
4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine has a molecular weight of 413.44 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine is sourced from PubChem (CID 66653794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).