2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol

C13H9F4NO2 — CID 59191384

IUPAC2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol
SMILESOc1cc(CC(F)(F)F)ccc1Oc1cccc(F)n1
InChIInChI=1S/C13H9F4NO2/c14-11-2-1-3-12(18-11)20-10-5-4-8(6-9(10)19)7-13(15,16)17/h1-6,19H,7H2
InChIKeyIVXBFUKPDAWSDW-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.82
Rot. Bonds3

About 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol

2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol (PubChem CID 59191384) has the molecular formula C13H9F4NO2 and a molecular weight of 287.21 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol
PubChem CID59191384
Molecular FormulaC13H9F4NO2
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol
SMILESOc1cc(CC(F)(F)F)ccc1Oc1cccc(F)n1
InChIInChI=1S/C13H9F4NO2/c14-11-2-1-3-12(18-11)20-10-5-4-8(6-9(10)19)7-13(15,16)17/h1-6,19H,7H2
InChIKeyIVXBFUKPDAWSDW-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol (CID 59191384) is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol is Oc1cc(CC(F)(F)F)ccc1Oc1cccc(F)n1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol?
The InChIKey is IVXBFUKPDAWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2/c14-11-2-1-3-12(18-11)20-10-5-4-8(6-9(10)19)7-13(15,16)17/h1-6,19H,7H2.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol?
2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol has a molecular weight of 287.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 59191384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).