2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine

C9H4F9NO — CID 86810983

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H4F9NO/c10-7(11,12)4-2-1-3-5(19-4)20-6(8(13,14)15)9(16,17)18/h1-3,6H
InChIKeyZFFDIJXEOZAKDZ-UHFFFAOYSA-N
MW313.12 g/mol
LogP3.97
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine (PubChem CID 86810983) has the molecular formula C9H4F9NO and a molecular weight of 313.12 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine
PubChem CID86810983
Molecular FormulaC9H4F9NO
Molecular Weight313.12 g/mol
Exact Mass313.01
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H4F9NO/c10-7(11,12)4-2-1-3-5(19-4)20-6(8(13,14)15)9(16,17)18/h1-3,6H
InChIKeyZFFDIJXEOZAKDZ-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62290450
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CID 62290744
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CID 62347988
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CID 44415867
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CID 62348720
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CID 10877682
CID 10877682

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine (CID 86810983) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine?
The InChIKey is ZFFDIJXEOZAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F9NO/c10-7(11,12)4-2-1-3-5(19-4)20-6(8(13,14)15)9(16,17)18/h1-3,6H.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine has a molecular weight of 313.12 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 86810983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).