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

C8H8F3NO2 — CID 66893281

IUPAC[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)12-3-7/h1-3,13H,4-5H2
InChIKeyKYPHIGVGVMAUHO-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.51
Rot. Bonds3

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

[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 66893281) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID66893281
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)12-3-7/h1-3,13H,4-5H2
InChIKeyKYPHIGVGVMAUHO-UHFFFAOYSA-N
XLogP1.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 66893281) is [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is OCc1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is KYPHIGVGVMAUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)12-3-7/h1-3,13H,4-5H2.
What are the key properties of [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 207.15 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 66893281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).