2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol

C13H10F3NO2 — CID 15592688

IUPAC2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol
SMILESOC(c1cccc(Oc2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)12(18)10-7-4-8-11(17-10)19-9-5-2-1-3-6-9/h1-8,12,18H
InChIKeyAYSIHTSTXDUSDV-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.47
Rot. Bonds3

About 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol

2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol (PubChem CID 15592688) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol
PubChem CID15592688
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol
SMILESOC(c1cccc(Oc2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)12(18)10-7-4-8-11(17-10)19-9-5-2-1-3-6-9/h1-8,12,18H
InChIKeyAYSIHTSTXDUSDV-UHFFFAOYSA-N
XLogP3.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol (CID 15592688) is 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol is OC(c1cccc(Oc2ccccc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
The InChIKey is AYSIHTSTXDUSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)12(18)10-7-4-8-11(17-10)19-9-5-2-1-3-6-9/h1-8,12,18H.
What are the key properties of 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol has a molecular weight of 269.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 15592688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).