3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene

C22H22F3NO3 — CID 18782542

IUPAC3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESCOc1ccc(OC(F)(F)F)cc1C1=CC2(CCCNC2c2ccccc2)OC1
InChIInChI=1S/C22H22F3NO3/c1-27-19-9-8-17(29-22(23,24)25)12-18(19)16-13-21(28-14-16)10-5-11-26-20(21)15-6-3-2-4-7-15/h2-4,6-9,12-13,20,26H,5,10-11,14H2,1H3
InChIKeyZACQZIWOFJIWSX-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.87
Rot. Bonds4

About 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene

3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene (PubChem CID 18782542) has the molecular formula C22H22F3NO3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
PubChem CID18782542
Molecular FormulaC22H22F3NO3
Molecular Weight405.42 g/mol
Exact Mass405.16
IUPAC Name3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESCOc1ccc(OC(F)(F)F)cc1C1=CC2(CCCNC2c2ccccc2)OC1
InChIInChI=1S/C22H22F3NO3/c1-27-19-9-8-17(29-22(23,24)25)12-18(19)16-13-21(28-14-16)10-5-11-26-20(21)15-6-3-2-4-7-15/h2-4,6-9,12-13,20,26H,5,10-11,14H2,1H3
InChIKeyZACQZIWOFJIWSX-UHFFFAOYSA-N
XLogP4.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene (CID 18782542) is 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene is COc1ccc(OC(F)(F)F)cc1C1=CC2(CCCNC2c2ccccc2)OC1.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The InChIKey is ZACQZIWOFJIWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO3/c1-27-19-9-8-17(29-22(23,24)25)12-18(19)16-13-21(28-14-16)10-5-11-26-20(21)15-6-3-2-4-7-15/h2-4,6-9,12-13,20,26H,5,10-11,14H2,1H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene has a molecular weight of 405.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 18782542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).