1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone

C18H27F3N2O2 — CID 88967270

IUPAC1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone
SMILESCC1CC2(CC2)N(C(=O)C(F)(F)F)C[C@H](C)CC1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H27F3N2O2/c1-11-8-13(15(24)14-4-3-7-22-14)12(2)9-17(5-6-17)23(10-11)16(25)18(19,20)21/h11-14,22H,3-10H2,1-2H3/t11-,12?,13?,14+/m1/s1
InChIKeyHZVVXKBGGIUWPY-RYSNWHEDSA-N
MW360.42 g/mol
LogP2.91
Rot. Bonds2

About 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone

1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone (PubChem CID 88967270) has the molecular formula C18H27F3N2O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone
PubChem CID88967270
Molecular FormulaC18H27F3N2O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC Name1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone
SMILESCC1CC2(CC2)N(C(=O)C(F)(F)F)C[C@H](C)CC1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H27F3N2O2/c1-11-8-13(15(24)14-4-3-7-22-14)12(2)9-17(5-6-17)23(10-11)16(25)18(19,20)21/h11-14,22H,3-10H2,1-2H3/t11-,12?,13?,14+/m1/s1
InChIKeyHZVVXKBGGIUWPY-RYSNWHEDSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone 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 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone (CID 88967270) is 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone is CC1CC2(CC2)N(C(=O)C(F)(F)F)C[C@H](C)CC1C(=O)[C@@H]1CCCN1.
What is the InChIKey of 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is HZVVXKBGGIUWPY-RYSNWHEDSA-N. The full InChI is InChI=1S/C18H27F3N2O2/c1-11-8-13(15(24)14-4-3-7-22-14)12(2)9-17(5-6-17)23(10-11)16(25)18(19,20)21/h11-14,22H,3-10H2,1-2H3/t11-,12?,13?,14+/m1/s1.
What are the key properties of 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone?
1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 360.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6,9-dimethyl-8-[(2S)-pyrrolidine-2-carbonyl]-4-azaspiro[2.7]decan-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 88967270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).