2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine

C34H38F4N2O2 — CID 67691796

IUPAC2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine
SMILESFc1cc(CCOC2OCCN(CCN3CCC4(CCc5ccccc54)CC3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H38F4N2O2/c35-29-23-25(22-28(24-29)34(36,37)38)11-20-41-32-31(27-7-2-1-3-8-27)40(19-21-42-32)18-17-39-15-13-33(14-16-39)12-10-26-6-4-5-9-30(26)33/h1-9,22-24,31-32H,10-21H2
InChIKeySYALSZGHWWIHIG-UHFFFAOYSA-N
MW582.68 g/mol
LogP6.78
Rot. Bonds8

About 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine

2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine (PubChem CID 67691796) has the molecular formula C34H38F4N2O2 and a molecular weight of 582.68 g/mol. Its IUPAC name is 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine.

Molecular Properties

Compound Name2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine
PubChem CID67691796
Molecular FormulaC34H38F4N2O2
Molecular Weight582.68 g/mol
Exact Mass582.29
IUPAC Name2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine
SMILESFc1cc(CCOC2OCCN(CCN3CCC4(CCc5ccccc54)CC3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H38F4N2O2/c35-29-23-25(22-28(24-29)34(36,37)38)11-20-41-32-31(27-7-2-1-3-8-27)40(19-21-42-32)18-17-39-15-13-33(14-16-39)12-10-26-6-4-5-9-30(26)33/h1-9,22-24,31-32H,10-21H2
InChIKeySYALSZGHWWIHIG-UHFFFAOYSA-N
XLogP6.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.68
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine?
The IUPAC name of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine (CID 67691796) is 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine.
What is the SMILES notation for 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine?
The canonical SMILES for 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine is Fc1cc(CCOC2OCCN(CCN3CCC4(CCc5ccccc54)CC3)C2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine?
The InChIKey is SYALSZGHWWIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F4N2O2/c35-29-23-25(22-28(24-29)34(36,37)38)11-20-41-32-31(27-7-2-1-3-8-27)40(19-21-42-32)18-17-39-15-13-33(14-16-39)12-10-26-6-4-5-9-30(26)33/h1-9,22-24,31-32H,10-21H2.
What are the key properties of 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine?
2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine has a molecular weight of 582.68 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)morpholine is sourced from PubChem (CID 67691796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).