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

C8F11N — CID 11088456

IUPAC2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFc1nc(F)c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C8F11N/c9-2-1(3(10)5(12)20-4(2)11)6(13,7(14,15)16)8(17,18)19
InChIKeyDVZHDTUMYSAOHU-UHFFFAOYSA-N
MW319.07 g/mol
LogP3.93
Rot. Bonds1

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

2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (PubChem CID 11088456) has the molecular formula C8F11N and a molecular weight of 319.07 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
PubChem CID11088456
Molecular FormulaC8F11N
Molecular Weight319.07 g/mol
Exact Mass318.99
IUPAC Name2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFc1nc(F)c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c1F
InChIInChI=1S/C8F11N/c9-2-1(3(10)5(12)20-4(2)11)6(13,7(14,15)16)8(17,18)19
InChIKeyDVZHDTUMYSAOHU-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.07
LogP ≤ 53.93
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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (CID 11088456) is 2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is Fc1nc(F)c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The InChIKey is DVZHDTUMYSAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F11N/c9-2-1(3(10)5(12)20-4(2)11)6(13,7(14,15)16)8(17,18)19.
What are the key properties of 2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine has a molecular weight of 319.07 g/mol, XLogP of 3.93, 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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is sourced from PubChem (CID 11088456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).