2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol

C8H14F3NO2 — CID 71650187

IUPAC2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol
SMILESOCCO[C@@H]1CCCN(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)12-3-1-2-7(6-12)14-5-4-13/h7,13H,1-6H2/t7-/m1/s1
InChIKeyXGVBRDXZLXXICF-SSDOTTSWSA-N
MW213.20 g/mol
LogP0.98
Rot. Bonds3

About 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol

2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol (PubChem CID 71650187) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol
PubChem CID71650187
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol
SMILESOCCO[C@@H]1CCCN(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)12-3-1-2-7(6-12)14-5-4-13/h7,13H,1-6H2/t7-/m1/s1
InChIKeyXGVBRDXZLXXICF-SSDOTTSWSA-N
XLogP0.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol (CID 71650187) is 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol is OCCO[C@@H]1CCCN(C(F)(F)F)C1.
What is the InChIKey of 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol?
The InChIKey is XGVBRDXZLXXICF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)12-3-1-2-7(6-12)14-5-4-13/h7,13H,1-6H2/t7-/m1/s1.
What are the key properties of 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol?
2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol has a molecular weight of 213.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(trifluoromethyl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 71650187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).