8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one

C21H28F3N3O — CID 18441844

IUPAC8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CC(F)(F)F)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C21H28F3N3O/c22-21(23,24)14-27-15-25-19(28)20(27)10-12-26(13-11-20)18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,25,28)
InChIKeyPRXGTAWUQKHDLM-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.50
Rot. Bonds3

About 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18441844) has the molecular formula C21H28F3N3O and a molecular weight of 395.47 g/mol. Its IUPAC name is 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18441844
Molecular FormulaC21H28F3N3O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC Name8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CC(F)(F)F)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C21H28F3N3O/c22-21(23,24)14-27-15-25-19(28)20(27)10-12-26(13-11-20)18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,25,28)
InChIKeyPRXGTAWUQKHDLM-UHFFFAOYSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 18441844) is 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(CC(F)(F)F)C12CCN(C1CCCCC1c1ccccc1)CC2.
What is the InChIKey of 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is PRXGTAWUQKHDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O/c22-21(23,24)14-27-15-25-19(28)20(27)10-12-26(13-11-20)18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,25,28).
What are the key properties of 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 395.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18441844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).