8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane

C20H28F3NO3 — CID 66577922

IUPAC8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane
SMILESCOCCC1(OC)CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C20H28F3NO3/c1-25-14-12-19(26-2)9-7-18(8-10-19)11-13-24(15-18)16-3-5-17(6-4-16)27-20(21,22)23/h3-6H,7-15H2,1-2H3
InChIKeyYFPJQEXMUNVAEZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.78
Rot. Bonds6

About 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane

8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane (PubChem CID 66577922) has the molecular formula C20H28F3NO3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane
PubChem CID66577922
Molecular FormulaC20H28F3NO3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane
SMILESCOCCC1(OC)CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C20H28F3NO3/c1-25-14-12-19(26-2)9-7-18(8-10-19)11-13-24(15-18)16-3-5-17(6-4-16)27-20(21,22)23/h3-6H,7-15H2,1-2H3
InChIKeyYFPJQEXMUNVAEZ-UHFFFAOYSA-N
XLogP4.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane?
The IUPAC name of 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane (CID 66577922) is 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane.
What is the SMILES notation for 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane?
The canonical SMILES for 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane is COCCC1(OC)CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane?
The InChIKey is YFPJQEXMUNVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3NO3/c1-25-14-12-19(26-2)9-7-18(8-10-19)11-13-24(15-18)16-3-5-17(6-4-16)27-20(21,22)23/h3-6H,7-15H2,1-2H3.
What are the key properties of 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane?
8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane has a molecular weight of 387.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decane is sourced from PubChem (CID 66577922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).