5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane

C17H22F3N — CID 79311438

IUPAC5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
SMILESFC(F)(F)C1CCC2(CCNCC2c2ccccc2)CC1
InChIInChI=1S/C17H22F3N/c18-17(19,20)14-6-8-16(9-7-14)10-11-21-12-15(16)13-4-2-1-3-5-13/h1-5,14-15,21H,6-12H2
InChIKeyOEYNZMIABQPVID-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.50
Rot. Bonds1

About 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane

5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane (PubChem CID 79311438) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
PubChem CID79311438
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
SMILESFC(F)(F)C1CCC2(CCNCC2c2ccccc2)CC1
InChIInChI=1S/C17H22F3N/c18-17(19,20)14-6-8-16(9-7-14)10-11-21-12-15(16)13-4-2-1-3-5-13/h1-5,14-15,21H,6-12H2
InChIKeyOEYNZMIABQPVID-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane (CID 79311438) is 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane is FC(F)(F)C1CCC2(CCNCC2c2ccccc2)CC1.
What is the InChIKey of 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane?
The InChIKey is OEYNZMIABQPVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c18-17(19,20)14-6-8-16(9-7-14)10-11-21-12-15(16)13-4-2-1-3-5-13/h1-5,14-15,21H,6-12H2.
What are the key properties of 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane?
5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane has a molecular weight of 297.36 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79311438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).