15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane

C18H27F6NO — CID 165129271

IUPAC15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane
SMILESCOC1CC2(CCC(C(F)(F)F)CC2)NC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C18H27F6NO/c1-26-14-10-15(6-2-12(3-7-15)17(19,20)21)25-16(11-14)8-4-13(5-9-16)18(22,23)24/h12-14,25H,2-11H2,1H3
InChIKeyJYHKEJYJOQXGHE-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.37
Rot. Bonds1

About 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane

15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane (PubChem CID 165129271) has the molecular formula C18H27F6NO and a molecular weight of 387.41 g/mol. Its IUPAC name is 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane.

Molecular Properties

Compound Name15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane
PubChem CID165129271
Molecular FormulaC18H27F6NO
Molecular Weight387.41 g/mol
Exact Mass387.20
IUPAC Name15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane
SMILESCOC1CC2(CCC(C(F)(F)F)CC2)NC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C18H27F6NO/c1-26-14-10-15(6-2-12(3-7-15)17(19,20)21)25-16(11-14)8-4-13(5-9-16)18(22,23)24/h12-14,25H,2-11H2,1H3
InChIKeyJYHKEJYJOQXGHE-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-5-methylpiperidine
CID 118136309

Frequently Asked Questions

What is the IUPAC name of 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane?
The IUPAC name of 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane (CID 165129271) is 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane.
What is the SMILES notation for 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane?
The canonical SMILES for 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane is COC1CC2(CCC(C(F)(F)F)CC2)NC2(CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane?
The InChIKey is JYHKEJYJOQXGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F6NO/c1-26-14-10-15(6-2-12(3-7-15)17(19,20)21)25-16(11-14)8-4-13(5-9-16)18(22,23)24/h12-14,25H,2-11H2,1H3.
What are the key properties of 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane?
15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane has a molecular weight of 387.41 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane is sourced from PubChem (CID 165129271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).