2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol

C11H15F3N2O2 — CID 121315884

IUPAC2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol
SMILESC[C@@H]1CC[C@@H](c2cc(C(O)C(F)(F)F)no2)CN1
InChIInChI=1S/C11H15F3N2O2/c1-6-2-3-7(5-15-6)9-4-8(16-18-9)10(17)11(12,13)14/h4,6-7,10,15,17H,2-3,5H2,1H3/t6-,7-,10?/m1/s1
InChIKeyOFRTZFVXQBXFOI-KTWZPZHPSA-N
MW264.25 g/mol
LogP2.13
Rot. Bonds2

About 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol

2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol (PubChem CID 121315884) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol
PubChem CID121315884
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol
SMILESC[C@@H]1CC[C@@H](c2cc(C(O)C(F)(F)F)no2)CN1
InChIInChI=1S/C11H15F3N2O2/c1-6-2-3-7(5-15-6)9-4-8(16-18-9)10(17)11(12,13)14/h4,6-7,10,15,17H,2-3,5H2,1H3/t6-,7-,10?/m1/s1
InChIKeyOFRTZFVXQBXFOI-KTWZPZHPSA-N
XLogP2.13
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol (CID 121315884) is 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol is C[C@@H]1CC[C@@H](c2cc(C(O)C(F)(F)F)no2)CN1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol?
The InChIKey is OFRTZFVXQBXFOI-KTWZPZHPSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-6-2-3-7(5-15-6)9-4-8(16-18-9)10(17)11(12,13)14/h4,6-7,10,15,17H,2-3,5H2,1H3/t6-,7-,10?/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol?
2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol has a molecular weight of 264.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 121315884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).