2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine

C8HF10N — CID 12540852

IUPAC2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine
SMILESFc1nc(F)c(F)c(C(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C8HF10N/c9-2-1(3(10)6(12)19-5(2)11)4(7(13,14)15)8(16,17)18/h4H
InChIKeyGUALKDCUXXBTOF-UHFFFAOYSA-N
MW301.08 g/mol
LogP3.85
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine

2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine (PubChem CID 12540852) has the molecular formula C8HF10N and a molecular weight of 301.08 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine
PubChem CID12540852
Molecular FormulaC8HF10N
Molecular Weight301.08 g/mol
Exact Mass300.99
IUPAC Name2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine
SMILESFc1nc(F)c(F)c(C(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C8HF10N/c9-2-1(3(10)6(12)19-5(2)11)4(7(13,14)15)8(16,17)18/h4H
InChIKeyGUALKDCUXXBTOF-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine (CID 12540852) is 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine is Fc1nc(F)c(F)c(C(C(F)(F)F)C(F)(F)F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine?
The InChIKey is GUALKDCUXXBTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF10N/c9-2-1(3(10)6(12)19-5(2)11)4(7(13,14)15)8(16,17)18/h4H.
What are the key properties of 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine?
2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine has a molecular weight of 301.08 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine is sourced from PubChem (CID 12540852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).