8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane

C18H22F3NO2 — CID 141308716

IUPAC8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane
SMILESFC(F)(F)COc1ccc(N2CCC3(CCC4(CC3)CO4)C2)cc1
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)13-23-15-3-1-14(2-4-15)22-10-9-16(11-22)5-7-17(8-6-16)12-24-17/h1-4H,5-13H2
InChIKeyRRFYATQJIZIEQF-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.17
Rot. Bonds3

About 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane

8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane (PubChem CID 141308716) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane.

Molecular Properties

Compound Name8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane
PubChem CID141308716
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC Name8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane
SMILESFC(F)(F)COc1ccc(N2CCC3(CCC4(CC3)CO4)C2)cc1
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)13-23-15-3-1-14(2-4-15)22-10-9-16(11-22)5-7-17(8-6-16)12-24-17/h1-4H,5-13H2
InChIKeyRRFYATQJIZIEQF-UHFFFAOYSA-N
XLogP4.17
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane?
The IUPAC name of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane (CID 141308716) is 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane.
What is the SMILES notation for 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane?
The canonical SMILES for 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane is FC(F)(F)COc1ccc(N2CCC3(CCC4(CC3)CO4)C2)cc1.
What is the InChIKey of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane?
The InChIKey is RRFYATQJIZIEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c19-18(20,21)13-23-15-3-1-14(2-4-15)22-10-9-16(11-22)5-7-17(8-6-16)12-24-17/h1-4H,5-13H2.
What are the key properties of 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane?
8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane has a molecular weight of 341.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,2,2-trifluoroethoxy)phenyl]-2-oxa-8-azadispiro[2.2.46.23]dodecane is sourced from PubChem (CID 141308716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).