2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine

C15H24FNO — CID 170651568

IUPAC2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine
SMILESCC(C)(C)CCOc1cc(F)cc(C(C)(C)C)n1
InChIInChI=1S/C15H24FNO/c1-14(2,3)7-8-18-13-10-11(16)9-12(17-13)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyBQUTZFMGTYGIOM-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.33
Rot. Bonds3

About 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine

2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine (PubChem CID 170651568) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine.

Molecular Properties

Compound Name2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine
PubChem CID170651568
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine
SMILESCC(C)(C)CCOc1cc(F)cc(C(C)(C)C)n1
InChIInChI=1S/C15H24FNO/c1-14(2,3)7-8-18-13-10-11(16)9-12(17-13)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyBQUTZFMGTYGIOM-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine?
The IUPAC name of 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine (CID 170651568) is 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine.
What is the SMILES notation for 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine?
The canonical SMILES for 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine is CC(C)(C)CCOc1cc(F)cc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine?
The InChIKey is BQUTZFMGTYGIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-14(2,3)7-8-18-13-10-11(16)9-12(17-13)15(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine?
2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine has a molecular weight of 253.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine is sourced from PubChem (CID 170651568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).