2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone

C17H25F4N3O2 — CID 58542353

IUPAC2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESCC(C)C[C@@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C17H25F4N3O2/c1-10(2)5-12-8-24(15(26)17(19,20)21)16(3-4-16)9-23(12)14(25)13-6-11(18)7-22-13/h10-13,22H,3-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyPSLHKZZBPHAIBZ-UPJWGTAASA-N
MW379.40 g/mol
LogP1.87
Rot. Bonds3

About 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone

2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone (PubChem CID 58542353) has the molecular formula C17H25F4N3O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone
PubChem CID58542353
Molecular FormulaC17H25F4N3O2
Molecular Weight379.40 g/mol
Exact Mass379.19
IUPAC Name2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESCC(C)C[C@@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C17H25F4N3O2/c1-10(2)5-12-8-24(15(26)17(19,20)21)16(3-4-16)9-23(12)14(25)13-6-11(18)7-22-13/h10-13,22H,3-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyPSLHKZZBPHAIBZ-UPJWGTAASA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone (CID 58542353) is 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone is CC(C)C[C@@H]1CN(C(=O)C(F)(F)F)C2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The InChIKey is PSLHKZZBPHAIBZ-UPJWGTAASA-N. The full InChI is InChI=1S/C17H25F4N3O2/c1-10(2)5-12-8-24(15(26)17(19,20)21)16(3-4-16)9-23(12)14(25)13-6-11(18)7-22-13/h10-13,22H,3-9H2,1-2H3/t11-,12-,13+/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone has a molecular weight of 379.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(6R)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone is sourced from PubChem (CID 58542353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).