2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol

C13H16F3NO — CID 170718755

IUPAC2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol
SMILESOC([C@@H]1CCN[C@H](c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(18)10-6-7-17-11(8-10)9-4-2-1-3-5-9/h1-5,10-12,17-18H,6-8H2/t10-,11+,12?/m1/s1
InChIKeyDYFWJICWHLAEGL-UBNQGINQSA-N
MW259.27 g/mol
LogP2.65
Rot. Bonds2

About 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol

2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol (PubChem CID 170718755) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol
PubChem CID170718755
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol
SMILESOC([C@@H]1CCN[C@H](c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(18)10-6-7-17-11(8-10)9-4-2-1-3-5-9/h1-5,10-12,17-18H,6-8H2/t10-,11+,12?/m1/s1
InChIKeyDYFWJICWHLAEGL-UBNQGINQSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol (CID 170718755) is 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol is OC([C@@H]1CCN[C@H](c2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol?
The InChIKey is DYFWJICWHLAEGL-UBNQGINQSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12(18)10-6-7-17-11(8-10)9-4-2-1-3-5-9/h1-5,10-12,17-18H,6-8H2/t10-,11+,12?/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol?
2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2S,4R)-2-phenylpiperidin-4-yl]ethanol is sourced from PubChem (CID 170718755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).