[5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol

C11H14F3NO2 — CID 23335292

IUPAC[5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCCCCC(F)(F)F)cn1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)5-1-2-6-17-10-4-3-9(8-16)15-7-10/h3-4,7,16H,1-2,5-6,8H2
InChIKeyVZNBOUOHGXQJTK-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.69
Rot. Bonds6

About [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol

[5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol (PubChem CID 23335292) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol
PubChem CID23335292
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name[5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCCCCC(F)(F)F)cn1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)5-1-2-6-17-10-4-3-9(8-16)15-7-10/h3-4,7,16H,1-2,5-6,8H2
InChIKeyVZNBOUOHGXQJTK-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol (CID 23335292) is [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol is OCc1ccc(OCCCCC(F)(F)F)cn1.
What is the InChIKey of [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol?
The InChIKey is VZNBOUOHGXQJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)5-1-2-6-17-10-4-3-9(8-16)15-7-10/h3-4,7,16H,1-2,5-6,8H2.
What are the key properties of [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol?
[5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol has a molecular weight of 249.23 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5,5,5-trifluoropentoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 23335292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).