2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine

C11H13F4N — CID 58305903

IUPAC2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine
SMILESCC(C)(C)c1ncc(F)c(C(C)(F)F)c1F
InChIInChI=1S/C11H13F4N/c1-10(2,3)9-8(13)7(11(4,14)15)6(12)5-16-9/h5H,1-4H3
InChIKeyFOKRQESFJPVHMT-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.77
Rot. Bonds1

About 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine

2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine (PubChem CID 58305903) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine.

Molecular Properties

Compound Name2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine
PubChem CID58305903
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine
SMILESCC(C)(C)c1ncc(F)c(C(C)(F)F)c1F
InChIInChI=1S/C11H13F4N/c1-10(2,3)9-8(13)7(11(4,14)15)6(12)5-16-9/h5H,1-4H3
InChIKeyFOKRQESFJPVHMT-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine?
The IUPAC name of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine (CID 58305903) is 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine.
What is the SMILES notation for 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine?
The canonical SMILES for 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine is CC(C)(C)c1ncc(F)c(C(C)(F)F)c1F.
What is the InChIKey of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine?
The InChIKey is FOKRQESFJPVHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-10(2,3)9-8(13)7(11(4,14)15)6(12)5-16-9/h5H,1-4H3.
What are the key properties of 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine?
2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine has a molecular weight of 235.22 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(1,1-difluoroethyl)-3,5-difluoropyridine is sourced from PubChem (CID 58305903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).