2-tert-butyl-5-fluorofuro[2,3-b]pyridine

C11H12FNO — CID 88980740

IUPAC2-tert-butyl-5-fluorofuro[2,3-b]pyridine
SMILESCC(C)(C)c1cc2cc(F)cnc2o1
InChIInChI=1S/C11H12FNO/c1-11(2,3)9-5-7-4-8(12)6-13-10(7)14-9/h4-6H,1-3H3
InChIKeyQZJVLVXLOMYBBN-UHFFFAOYSA-N
MW193.22 g/mol
LogP3.26
Rot. Bonds

About 2-tert-butyl-5-fluorofuro[2,3-b]pyridine

2-tert-butyl-5-fluorofuro[2,3-b]pyridine (PubChem CID 88980740) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-tert-butyl-5-fluorofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-fluorofuro[2,3-b]pyridine
PubChem CID88980740
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-tert-butyl-5-fluorofuro[2,3-b]pyridine
SMILESCC(C)(C)c1cc2cc(F)cnc2o1
InChIInChI=1S/C11H12FNO/c1-11(2,3)9-5-7-4-8(12)6-13-10(7)14-9/h4-6H,1-3H3
InChIKeyQZJVLVXLOMYBBN-UHFFFAOYSA-N
XLogP3.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluorofuro[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-5-fluorofuro[2,3-b]pyridine (CID 88980740) is 2-tert-butyl-5-fluorofuro[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-5-fluorofuro[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-5-fluorofuro[2,3-b]pyridine is CC(C)(C)c1cc2cc(F)cnc2o1.
What is the InChIKey of 2-tert-butyl-5-fluorofuro[2,3-b]pyridine?
The InChIKey is QZJVLVXLOMYBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-11(2,3)9-5-7-4-8(12)6-13-10(7)14-9/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-5-fluorofuro[2,3-b]pyridine?
2-tert-butyl-5-fluorofuro[2,3-b]pyridine has a molecular weight of 193.22 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluorofuro[2,3-b]pyridine is sourced from PubChem (CID 88980740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).