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

C13H10F3NO2 — CID 15592689

IUPAC(1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol
SMILESO[C@H](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/t12-/m1/s1
InChIKeyAYSIHTSTXDUSDV-GFCCVEGCSA-N
MW269.22 g/mol
LogP3.47
Rot. Bonds3

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

(1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol (PubChem CID 15592689) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol
PubChem CID15592689
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name(1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol
SMILESO[C@H](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/t12-/m1/s1
InChIKeyAYSIHTSTXDUSDV-GFCCVEGCSA-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 (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol (CID 15592689) is (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol is O[C@H](c1cccc(Oc2ccccc2)n1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
The InChIKey is AYSIHTSTXDUSDV-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol?
(1R)-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 (1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 15592689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).