2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol

C9H15F4NO — CID 167468229

IUPAC2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol
SMILESOCC(F)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F4NO/c10-8(5-15)7-1-3-14(4-2-7)6-9(11,12)13/h7-8,15H,1-6H2
InChIKeyLURVTVHIJIBRQL-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.59
Rot. Bonds3

About 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol

2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol (PubChem CID 167468229) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol
PubChem CID167468229
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol
SMILESOCC(F)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H15F4NO/c10-8(5-15)7-1-3-14(4-2-7)6-9(11,12)13/h7-8,15H,1-6H2
InChIKeyLURVTVHIJIBRQL-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol (CID 167468229) is 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol is OCC(F)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
The InChIKey is LURVTVHIJIBRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c10-8(5-15)7-1-3-14(4-2-7)6-9(11,12)13/h7-8,15H,1-6H2.
What are the key properties of 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol?
2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol has a molecular weight of 229.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 167468229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).