2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol

C21H23F4NO2 — CID 67624352

IUPAC2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol
SMILESOCC(OCC1CCNCC1)c1cc(F)c(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C21H23F4NO2/c22-18-11-16(19(12-27)28-13-14-6-8-26-9-7-14)10-17(21(23,24)25)20(18)15-4-2-1-3-5-15/h1-5,10-11,14,19,26-27H,6-9,12-13H2
InChIKeyGJOPXWVNWVBVME-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.56
Rot. Bonds6

About 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol

2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol (PubChem CID 67624352) has the molecular formula C21H23F4NO2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol.

Molecular Properties

Compound Name2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol
PubChem CID67624352
Molecular FormulaC21H23F4NO2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol
SMILESOCC(OCC1CCNCC1)c1cc(F)c(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C21H23F4NO2/c22-18-11-16(19(12-27)28-13-14-6-8-26-9-7-14)10-17(21(23,24)25)20(18)15-4-2-1-3-5-15/h1-5,10-11,14,19,26-27H,6-9,12-13H2
InChIKeyGJOPXWVNWVBVME-UHFFFAOYSA-N
XLogP4.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol?
The IUPAC name of 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol (CID 67624352) is 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol.
What is the SMILES notation for 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol?
The canonical SMILES for 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol is OCC(OCC1CCNCC1)c1cc(F)c(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol?
The InChIKey is GJOPXWVNWVBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4NO2/c22-18-11-16(19(12-27)28-13-14-6-8-26-9-7-14)10-17(21(23,24)25)20(18)15-4-2-1-3-5-15/h1-5,10-11,14,19,26-27H,6-9,12-13H2.
What are the key properties of 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol?
2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol has a molecular weight of 397.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol is sourced from PubChem (CID 67624352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).