2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol

C14H11ClF3NO2 — CID 67773858

IUPAC2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H11ClF3NO2/c15-11-5-6-12(19-13(11)14(16,17)18)21-10-3-1-9(2-4-10)7-8-20/h1-6,20H,7-8H2
InChIKeyJGPJRUZSVGZBRA-UHFFFAOYSA-N
MW317.69 g/mol
LogP4.08
Rot. Bonds4

About 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol

2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol (PubChem CID 67773858) has the molecular formula C14H11ClF3NO2 and a molecular weight of 317.69 g/mol. Its IUPAC name is 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
PubChem CID67773858
Molecular FormulaC14H11ClF3NO2
Molecular Weight317.69 g/mol
Exact Mass317.04
IUPAC Name2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
SMILESOCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H11ClF3NO2/c15-11-5-6-12(19-13(11)14(16,17)18)21-10-3-1-9(2-4-10)7-8-20/h1-6,20H,7-8H2
InChIKeyJGPJRUZSVGZBRA-UHFFFAOYSA-N
XLogP4.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The IUPAC name of 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol (CID 67773858) is 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol is OCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
The InChIKey is JGPJRUZSVGZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2/c15-11-5-6-12(19-13(11)14(16,17)18)21-10-3-1-9(2-4-10)7-8-20/h1-6,20H,7-8H2.
What are the key properties of 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol?
2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol has a molecular weight of 317.69 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-chloro-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol is sourced from PubChem (CID 67773858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).