8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol

C14H20F3NO2 — CID 18946528

IUPAC8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
SMILESOCCCCCCCCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)12-8-7-9-13(18-12)20-11-6-4-2-1-3-5-10-19/h7-9,19H,1-6,10-11H2
InChIKeyXZQPJPLXLAYBTD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.81
Rot. Bonds9

About 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol

8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol (PubChem CID 18946528) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol.

Molecular Properties

Compound Name8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
PubChem CID18946528
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
SMILESOCCCCCCCCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)12-8-7-9-13(18-12)20-11-6-4-2-1-3-5-10-19/h7-9,19H,1-6,10-11H2
InChIKeyXZQPJPLXLAYBTD-UHFFFAOYSA-N
XLogP3.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.81
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 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
The IUPAC name of 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol (CID 18946528) is 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol.
What is the SMILES notation for 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
The canonical SMILES for 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol is OCCCCCCCCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
The InChIKey is XZQPJPLXLAYBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c15-14(16,17)12-8-7-9-13(18-12)20-11-6-4-2-1-3-5-10-19/h7-9,19H,1-6,10-11H2.
What are the key properties of 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol has a molecular weight of 291.31 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol is sourced from PubChem (CID 18946528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).