2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine

C11H10F7N — CID 135234346

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)nc1
InChIInChI=1S/C11H10F7N/c1-6(2)7-3-4-8(19-5-7)9(12,10(13,14)15)11(16,17)18/h3-6H,1-2H3
InChIKeyRIHKNRXSXKZCLM-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.49
Rot. Bonds2

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine (PubChem CID 135234346) has the molecular formula C11H10F7N and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
PubChem CID135234346
Molecular FormulaC11H10F7N
Molecular Weight289.19 g/mol
Exact Mass289.07
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)nc1
InChIInChI=1S/C11H10F7N/c1-6(2)7-3-4-8(19-5-7)9(12,10(13,14)15)11(16,17)18/h3-6H,1-2H3
InChIKeyRIHKNRXSXKZCLM-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine (CID 135234346) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine is CC(C)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)nc1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine?
The InChIKey is RIHKNRXSXKZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7N/c1-6(2)7-3-4-8(19-5-7)9(12,10(13,14)15)11(16,17)18/h3-6H,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine has a molecular weight of 289.19 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 135234346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).