8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol

C15H19F6NO2 — CID 18946541

IUPAC8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
SMILESOCCCCCCCCOc1ncc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H19F6NO2/c16-14(17,18)11-9-12(15(19,20)21)13(22-10-11)24-8-6-4-2-1-3-5-7-23/h9-10,23H,1-8H2
InChIKeyVCTIPMMPYJFBDF-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.83
Rot. Bonds9

About 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol

8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol (PubChem CID 18946541) has the molecular formula C15H19F6NO2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol.

Molecular Properties

Compound Name8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
PubChem CID18946541
Molecular FormulaC15H19F6NO2
Molecular Weight359.31 g/mol
Exact Mass359.13
IUPAC Name8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
SMILESOCCCCCCCCOc1ncc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C15H19F6NO2/c16-14(17,18)11-9-12(15(19,20)21)13(22-10-11)24-8-6-4-2-1-3-5-7-23/h9-10,23H,1-8H2
InChIKeyVCTIPMMPYJFBDF-UHFFFAOYSA-N
XLogP4.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.83
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-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
The IUPAC name of 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol (CID 18946541) is 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol.
What is the SMILES notation for 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
The canonical SMILES for 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol is OCCCCCCCCOc1ncc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
The InChIKey is VCTIPMMPYJFBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6NO2/c16-14(17,18)11-9-12(15(19,20)21)13(22-10-11)24-8-6-4-2-1-3-5-7-23/h9-10,23H,1-8H2.
What are the key properties of 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol?
8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol has a molecular weight of 359.31 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol is sourced from PubChem (CID 18946541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).