2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol

C13H7F4NO2 — CID 59191259

IUPAC2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol
SMILESOc1cc(C(F)=C(F)F)ccc1Oc1cccc(F)n1
InChIInChI=1S/C13H7F4NO2/c14-10-2-1-3-11(18-10)20-9-5-4-7(6-8(9)19)12(15)13(16)17/h1-6,19H
InChIKeyPKNAJACOEMUPCS-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.25
Rot. Bonds3

About 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol

2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol (PubChem CID 59191259) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol
PubChem CID59191259
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol
SMILESOc1cc(C(F)=C(F)F)ccc1Oc1cccc(F)n1
InChIInChI=1S/C13H7F4NO2/c14-10-2-1-3-11(18-10)20-9-5-4-7(6-8(9)19)12(15)13(16)17/h1-6,19H
InChIKeyPKNAJACOEMUPCS-UHFFFAOYSA-N
XLogP4.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.25
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-(1,2,2-trifluoroethenyl)phenol?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol (CID 59191259) is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol is Oc1cc(C(F)=C(F)F)ccc1Oc1cccc(F)n1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol?
The InChIKey is PKNAJACOEMUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-10-2-1-3-11(18-10)20-9-5-4-7(6-8(9)19)12(15)13(16)17/h1-6,19H.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol?
2-[(6-fluoro-2-pyridinyl)oxy]-5-(1,2,2-trifluoroethenyl)phenol has a molecular weight of 285.20 g/mol, XLogP of 4.25, 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-(1,2,2-trifluoroethenyl)phenol is sourced from PubChem (CID 59191259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).