2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine

C16H10F10N2O2 — CID 12008503

IUPAC2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)COc1cccc(-c2cccc(OCC(F)(F)C(F)(F)F)n2)n1
InChIInChI=1S/C16H10F10N2O2/c17-13(18,15(21,22)23)7-29-11-5-1-3-9(27-11)10-4-2-6-12(28-10)30-8-14(19,20)16(24,25)26/h1-6H,7-8H2
InChIKeyOMXSGVRZEGWJAT-UHFFFAOYSA-N
MW452.25 g/mol
LogP5.30
Rot. Bonds7

About 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine

2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine (PubChem CID 12008503) has the molecular formula C16H10F10N2O2 and a molecular weight of 452.25 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine
PubChem CID12008503
Molecular FormulaC16H10F10N2O2
Molecular Weight452.25 g/mol
Exact Mass452.06
IUPAC Name2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)COc1cccc(-c2cccc(OCC(F)(F)C(F)(F)F)n2)n1
InChIInChI=1S/C16H10F10N2O2/c17-13(18,15(21,22)23)7-29-11-5-1-3-9(27-11)10-4-2-6-12(28-10)30-8-14(19,20)16(24,25)26/h1-6H,7-8H2
InChIKeyOMXSGVRZEGWJAT-UHFFFAOYSA-N
XLogP5.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.25
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine (CID 12008503) is 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine is FC(F)(F)C(F)(F)COc1cccc(-c2cccc(OCC(F)(F)C(F)(F)F)n2)n1.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine?
The InChIKey is OMXSGVRZEGWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F10N2O2/c17-13(18,15(21,22)23)7-29-11-5-1-3-9(27-11)10-4-2-6-12(28-10)30-8-14(19,20)16(24,25)26/h1-6H,7-8H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine?
2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine has a molecular weight of 452.25 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropoxy)-6-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]pyridine is sourced from PubChem (CID 12008503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).