2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol

C13H9F4NO2 — CID 14074442

IUPAC2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol
SMILESOC(c1cccc(Oc2ccc(F)cc2)n1)C(F)(F)F
InChIInChI=1S/C13H9F4NO2/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(18-11)12(19)13(15,16)17/h1-7,12,19H
InChIKeyQVXYQUXRCKSMPC-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.61
Rot. Bonds3

About 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol

2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol (PubChem CID 14074442) has the molecular formula C13H9F4NO2 and a molecular weight of 287.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol
PubChem CID14074442
Molecular FormulaC13H9F4NO2
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol
SMILESOC(c1cccc(Oc2ccc(F)cc2)n1)C(F)(F)F
InChIInChI=1S/C13H9F4NO2/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(18-11)12(19)13(15,16)17/h1-7,12,19H
InChIKeyQVXYQUXRCKSMPC-UHFFFAOYSA-N
XLogP3.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.61
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-(4-fluorophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol (CID 14074442) is 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol is OC(c1cccc(Oc2ccc(F)cc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol?
The InChIKey is QVXYQUXRCKSMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(18-11)12(19)13(15,16)17/h1-7,12,19H.
What are the key properties of 2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol?
2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethanol has a molecular weight of 287.21 g/mol, XLogP of 3.61, 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-(4-fluorophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 14074442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).