2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone

C15H22F3N3O2 — CID 87252828

IUPAC2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESC[C@H]1CC[C@@H](C(=O)N2CC3(CC3)N(C(=O)C(F)(F)F)C[C@@H]2C)N1
InChIInChI=1S/C15H22F3N3O2/c1-9-3-4-11(19-9)12(22)20-8-14(5-6-14)21(7-10(20)2)13(23)15(16,17)18/h9-11,19H,3-8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKeyHIGKGRYIWCPDCY-DCAQKATOSA-N
MW333.35 g/mol
LogP1.28
Rot. Bonds1

About 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone

2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone (PubChem CID 87252828) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
PubChem CID87252828
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESC[C@H]1CC[C@@H](C(=O)N2CC3(CC3)N(C(=O)C(F)(F)F)C[C@@H]2C)N1
InChIInChI=1S/C15H22F3N3O2/c1-9-3-4-11(19-9)12(22)20-8-14(5-6-14)21(7-10(20)2)13(23)15(16,17)18/h9-11,19H,3-8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKeyHIGKGRYIWCPDCY-DCAQKATOSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-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-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone (CID 87252828) is 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone is C[C@H]1CC[C@@H](C(=O)N2CC3(CC3)N(C(=O)C(F)(F)F)C[C@@H]2C)N1.
What is the InChIKey of 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The InChIKey is HIGKGRYIWCPDCY-DCAQKATOSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-9-3-4-11(19-9)12(22)20-8-14(5-6-14)21(7-10(20)2)13(23)15(16,17)18/h9-11,19H,3-8H2,1-2H3/t9-,10-,11-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
2,2,2-trifluoro-1-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone has a molecular weight of 333.35 g/mol, XLogP of 1.28, 1 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-[(6S)-6-methyl-7-[(2S,5S)-5-methylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone is sourced from PubChem (CID 87252828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).