2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine

C15H24FNO4 — CID 104561460

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine
SMILESCCCCOCCOCCOCCOc1cccc(F)n1
InChIInChI=1S/C15H24FNO4/c1-2-3-7-18-8-9-19-10-11-20-12-13-21-15-6-4-5-14(16)17-15/h4-6H,2-3,7-13H2,1H3
InChIKeyATAWQFOAAXXWOU-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.45
Rot. Bonds13

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine (PubChem CID 104561460) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine
PubChem CID104561460
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine
SMILESCCCCOCCOCCOCCOc1cccc(F)n1
InChIInChI=1S/C15H24FNO4/c1-2-3-7-18-8-9-19-10-11-20-12-13-21-15-6-4-5-14(16)17-15/h4-6H,2-3,7-13H2,1H3
InChIKeyATAWQFOAAXXWOU-UHFFFAOYSA-N
XLogP2.45
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2,6-dibutoxypyridine
CID 67437244
4-(2-butoxyethoxy)-6-fluoropyrimidine
CID 115416041
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967
2-fluoro-6-(2-propan-2-yloxyethoxy)pyridine
CID 61229543
2-fluoro-6-(4-propoxyphenoxy)pyridine
CID 61229354
4-(2-butoxyethoxy)pyrimidin-2-amine
CID 80861687
2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine
CID 11177547
2-but-3-enoxy-6-fluoropyridine
CID 61227603
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
2-methyl-6-pentoxypyridine
CID 165358855
6-butoxy-N-ethylpyridin-2-amine
CID 80867318

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine (CID 104561460) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine is CCCCOCCOCCOCCOc1cccc(F)n1.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine?
The InChIKey is ATAWQFOAAXXWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-2-3-7-18-8-9-19-10-11-20-12-13-21-15-6-4-5-14(16)17-15/h4-6H,2-3,7-13H2,1H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine has a molecular weight of 301.36 g/mol, XLogP of 2.45, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine is sourced from PubChem (CID 104561460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).