2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone

C10H16F3NO2 — CID 71412036

IUPAC2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone
SMILESCCC[C@H]1CC[C@H](O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-2-3-7-4-5-8(15)6-14(7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyORPJCLOZFCWSCG-YUMQZZPRSA-N
MW239.24 g/mol
LogP1.70
Rot. Bonds2

About 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone

2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone (PubChem CID 71412036) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone
PubChem CID71412036
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone
SMILESCCC[C@H]1CC[C@H](O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-2-3-7-4-5-8(15)6-14(7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyORPJCLOZFCWSCG-YUMQZZPRSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone (CID 71412036) is 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone is CCC[C@H]1CC[C@H](O)CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
The InChIKey is ORPJCLOZFCWSCG-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-3-7-4-5-8(15)6-14(7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-propylpiperidin-1-yl]ethanone is sourced from PubChem (CID 71412036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).