2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine

C17H20FNO3 — CID 15239101

IUPAC2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine
SMILESCCC(C)Oc1ccc(OCCOc2cccc(F)n2)cc1
InChIInChI=1S/C17H20FNO3/c1-3-13(2)22-15-9-7-14(8-10-15)20-11-12-21-17-6-4-5-16(18)19-17/h4-10,13H,3,11-12H2,1-2H3
InChIKeyLMOAJVIHYMBKJB-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.86
Rot. Bonds8

About 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine

2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine (PubChem CID 15239101) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine.

Molecular Properties

Compound Name2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine
PubChem CID15239101
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine
SMILESCCC(C)Oc1ccc(OCCOc2cccc(F)n2)cc1
InChIInChI=1S/C17H20FNO3/c1-3-13(2)22-15-9-7-14(8-10-15)20-11-12-21-17-6-4-5-16(18)19-17/h4-10,13H,3,11-12H2,1-2H3
InChIKeyLMOAJVIHYMBKJB-UHFFFAOYSA-N
XLogP3.86
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine?
The IUPAC name of 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine (CID 15239101) is 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine.
What is the SMILES notation for 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine?
The canonical SMILES for 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine is CCC(C)Oc1ccc(OCCOc2cccc(F)n2)cc1.
What is the InChIKey of 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine?
The InChIKey is LMOAJVIHYMBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-3-13(2)22-15-9-7-14(8-10-15)20-11-12-21-17-6-4-5-16(18)19-17/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine?
2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine has a molecular weight of 305.35 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butan-2-yloxyphenoxy)ethoxy]-6-fluoropyridine is sourced from PubChem (CID 15239101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).