4-tert-butyl-2,3,5,6-tetrafluoropyridine

C9H9F4N — CID 59773413

IUPAC4-tert-butyl-2,3,5,6-tetrafluoropyridine
SMILESCC(C)(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H9F4N/c1-9(2,3)4-5(10)7(12)14-8(13)6(4)11/h1-3H3
InChIKeyXCVPUYFHBFBFNS-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.94
Rot. Bonds

About 4-tert-butyl-2,3,5,6-tetrafluoropyridine

4-tert-butyl-2,3,5,6-tetrafluoropyridine (PubChem CID 59773413) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 4-tert-butyl-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-tert-butyl-2,3,5,6-tetrafluoropyridine
PubChem CID59773413
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name4-tert-butyl-2,3,5,6-tetrafluoropyridine
SMILESCC(C)(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H9F4N/c1-9(2,3)4-5(10)7(12)14-8(13)6(4)11/h1-3H3
InChIKeyXCVPUYFHBFBFNS-UHFFFAOYSA-N
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2,3,5,6-tetrafluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-tert-butyl-2,3,5,6-tetrafluoropyridine (CID 59773413) is 4-tert-butyl-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-tert-butyl-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-tert-butyl-2,3,5,6-tetrafluoropyridine is CC(C)(C)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 4-tert-butyl-2,3,5,6-tetrafluoropyridine?
The InChIKey is XCVPUYFHBFBFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-9(2,3)4-5(10)7(12)14-8(13)6(4)11/h1-3H3.
What are the key properties of 4-tert-butyl-2,3,5,6-tetrafluoropyridine?
4-tert-butyl-2,3,5,6-tetrafluoropyridine has a molecular weight of 207.17 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 59773413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).