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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Related Compounds

6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
CID 80877647
[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine
CID 106667369
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379549
2,4-ditert-butyl-6-ethoxypyridine
CID 176622096
6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042
6-(3,3-dimethylbutoxy)-N-ethylpyridin-2-amine
CID 80878218
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
1-(3,3-dimethylbutoxy)-7-fluoronaphthalene
CID 70807978
[6-(3,3-dimethylbutoxy)-2-pyridinyl]oxyboronic acid
CID 178066328
2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564258
2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid
CID 113379610

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).