4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine

C21H25F3N2O — CID 23453677

IUPAC4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESFC(F)(F)c1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C21H25F3N2O/c22-21(23,24)16-4-1-14(2-5-16)19-15-3-6-17(13-15)20(19)8-7-18(25-20)26-9-11-27-12-10-26/h1-2,4-5,15,17,19H,3,6-13H2
InChIKeyISALLIFWOLJTGI-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.48
Rot. Bonds1

About 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine

4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (PubChem CID 23453677) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.

Molecular Properties

Compound Name4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
PubChem CID23453677
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine
SMILESFC(F)(F)c1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1
InChIInChI=1S/C21H25F3N2O/c22-21(23,24)16-4-1-14(2-5-16)19-15-3-6-17(13-15)20(19)8-7-18(25-20)26-9-11-27-12-10-26/h1-2,4-5,15,17,19H,3,6-13H2
InChIKeyISALLIFWOLJTGI-UHFFFAOYSA-N
XLogP4.48
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The IUPAC name of 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine (CID 23453677) is 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine.
What is the SMILES notation for 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The canonical SMILES for 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is FC(F)(F)c1ccc(C2C3CCC(C3)C23CCC(N2CCOCC2)=N3)cc1.
What is the InChIKey of 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
The InChIKey is ISALLIFWOLJTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O/c22-21(23,24)16-4-1-14(2-5-16)19-15-3-6-17(13-15)20(19)8-7-18(25-20)26-9-11-27-12-10-26/h1-2,4-5,15,17,19H,3,6-13H2.
What are the key properties of 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine?
4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine has a molecular weight of 378.44 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-yl]morpholine is sourced from PubChem (CID 23453677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).