2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone

C23H32F3NO3 — CID 11475856

IUPAC2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone
SMILESC[C@@H](COCc1ccccc1)[C@H]1CCC[C@]12CCC[C@H](CCO)N2C(=O)C(F)(F)F
InChIInChI=1S/C23H32F3NO3/c1-17(15-30-16-18-7-3-2-4-8-18)20-10-6-13-22(20)12-5-9-19(11-14-28)27(22)21(29)23(24,25)26/h2-4,7-8,17,19-20,28H,5-6,9-16H2,1H3/t17-,19+,20+,22+/m0/s1
InChIKeyFOARRAFVPYPVTD-RJJVWVDVSA-N
MW427.51 g/mol
LogP4.70
Rot. Bonds7

About 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone

2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone (PubChem CID 11475856) has the molecular formula C23H32F3NO3 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone
PubChem CID11475856
Molecular FormulaC23H32F3NO3
Molecular Weight427.51 g/mol
Exact Mass427.23
IUPAC Name2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone
SMILESC[C@@H](COCc1ccccc1)[C@H]1CCC[C@]12CCC[C@H](CCO)N2C(=O)C(F)(F)F
InChIInChI=1S/C23H32F3NO3/c1-17(15-30-16-18-7-3-2-4-8-18)20-10-6-13-22(20)12-5-9-19(11-14-28)27(22)21(29)23(24,25)26/h2-4,7-8,17,19-20,28H,5-6,9-16H2,1H3/t17-,19+,20+,22+/m0/s1
InChIKeyFOARRAFVPYPVTD-RJJVWVDVSA-N
XLogP4.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone (CID 11475856) is 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone is C[C@@H](COCc1ccccc1)[C@H]1CCC[C@]12CCC[C@H](CCO)N2C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone?
The InChIKey is FOARRAFVPYPVTD-RJJVWVDVSA-N. The full InChI is InChI=1S/C23H32F3NO3/c1-17(15-30-16-18-7-3-2-4-8-18)20-10-6-13-22(20)12-5-9-19(11-14-28)27(22)21(29)23(24,25)26/h2-4,7-8,17,19-20,28H,5-6,9-16H2,1H3/t17-,19+,20+,22+/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone?
2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 4.70, 7 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-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone is sourced from PubChem (CID 11475856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).