2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine

C13H9F4NO2 — CID 87974377

IUPAC2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine
SMILESFC(F)C(F)(F)Oc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C13H9F4NO2/c14-12(15)13(16,17)20-11-8-4-7-10(18-11)19-9-5-2-1-3-6-9/h1-8,12H
InChIKeyLXOMJNCBSZZXEH-UHFFFAOYSA-N
MW287.21 g/mol
LogP4.11
Rot. Bonds5

About 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine

2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine (PubChem CID 87974377) has the molecular formula C13H9F4NO2 and a molecular weight of 287.21 g/mol. Its IUPAC name is 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine.

Molecular Properties

Compound Name2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine
PubChem CID87974377
Molecular FormulaC13H9F4NO2
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine
SMILESFC(F)C(F)(F)Oc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C13H9F4NO2/c14-12(15)13(16,17)20-11-8-4-7-10(18-11)19-9-5-2-1-3-6-9/h1-8,12H
InChIKeyLXOMJNCBSZZXEH-UHFFFAOYSA-N
XLogP4.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
2-ethyl-6-phenoxypyridine
CID 19828151
2-phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
1-(6-phenoxy-2-pyridinyl)ethanethiol
CID 13002991
N-methyl-6-phenoxypyridin-2-amine
CID 58106895
2-phenoxy-6-(propan-2-yloxymethyl)pyridine
CID 154321381
(6-phenoxy-2-pyridinyl)methyl-triphenylphosphanium bromide
CID 21282155
2-phenoxy-7-(trifluoromethyl)-1,8-naphthyridine
CID 141387441
2-fluoro-4-phenoxypyrimidine
CID 54296073
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine?
The IUPAC name of 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine (CID 87974377) is 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine.
What is the SMILES notation for 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine?
The canonical SMILES for 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine is FC(F)C(F)(F)Oc1cccc(Oc2ccccc2)n1.
What is the InChIKey of 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine?
The InChIKey is LXOMJNCBSZZXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2/c14-12(15)13(16,17)20-11-8-4-7-10(18-11)19-9-5-2-1-3-6-9/h1-8,12H.
What are the key properties of 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine?
2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine has a molecular weight of 287.21 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-(1,1,2,2-tetrafluoroethoxy)pyridine is sourced from PubChem (CID 87974377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).