2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine

C18H19F2NO — CID 154872410

IUPAC2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine
SMILESCC(C)(C)c1cccc(-c2ccc(C3OCC3(F)F)cc2)n1
InChIInChI=1S/C18H19F2NO/c1-17(2,3)15-6-4-5-14(21-15)12-7-9-13(10-8-12)16-18(19,20)11-22-16/h4-10,16H,11H2,1-3H3
InChIKeyUXCVIKRZMDGVKD-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.75
Rot. Bonds2

About 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine

2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine (PubChem CID 154872410) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine
PubChem CID154872410
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine
SMILESCC(C)(C)c1cccc(-c2ccc(C3OCC3(F)F)cc2)n1
InChIInChI=1S/C18H19F2NO/c1-17(2,3)15-6-4-5-14(21-15)12-7-9-13(10-8-12)16-18(19,20)11-22-16/h4-10,16H,11H2,1-3H3
InChIKeyUXCVIKRZMDGVKD-UHFFFAOYSA-N
XLogP4.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.75
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-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine?
The IUPAC name of 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine (CID 154872410) is 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine is CC(C)(C)c1cccc(-c2ccc(C3OCC3(F)F)cc2)n1.
What is the InChIKey of 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine?
The InChIKey is UXCVIKRZMDGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-17(2,3)15-6-4-5-14(21-15)12-7-9-13(10-8-12)16-18(19,20)11-22-16/h4-10,16H,11H2,1-3H3.
What are the key properties of 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine?
2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine has a molecular weight of 303.35 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-(3,3-difluorooxetan-2-yl)phenyl]pyridine is sourced from PubChem (CID 154872410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).