4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine

C8H5F6NO — CID 91051427

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine
SMILESFC(F)(F)C(Oc1ccncc1)C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)6(8(12,13)14)16-5-1-3-15-4-2-5/h1-4,6H
InChIKeyCYKANAGQFYDVQM-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.95
Rot. Bonds2

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine (PubChem CID 91051427) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine
PubChem CID91051427
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine
SMILESFC(F)(F)C(Oc1ccncc1)C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)6(8(12,13)14)16-5-1-3-15-4-2-5/h1-4,6H
InChIKeyCYKANAGQFYDVQM-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine (CID 91051427) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine is FC(F)(F)C(Oc1ccncc1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine?
The InChIKey is CYKANAGQFYDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-7(10,11)6(8(12,13)14)16-5-1-3-15-4-2-5/h1-4,6H.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine has a molecular weight of 245.12 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 91051427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).