[5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol

C8H8F3NO2 — CID 68825277

IUPAC[5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OC(F)C(F)F)cn1
InChIInChI=1S/C8H8F3NO2/c9-7(10)8(11)14-6-2-1-5(4-13)12-3-6/h1-3,7-8,13H,4H2
InChIKeyGPEOYVMFADSRHI-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.51
Rot. Bonds4

About [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol

[5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 68825277) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID68825277
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name[5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESOCc1ccc(OC(F)C(F)F)cn1
InChIInChI=1S/C8H8F3NO2/c9-7(10)8(11)14-6-2-1-5(4-13)12-3-6/h1-3,7-8,13H,4H2
InChIKeyGPEOYVMFADSRHI-UHFFFAOYSA-N
XLogP1.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 68825277) is [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol is OCc1ccc(OC(F)C(F)F)cn1.
What is the InChIKey of [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is GPEOYVMFADSRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-7(10)8(11)14-6-2-1-5(4-13)12-3-6/h1-3,7-8,13H,4H2.
What are the key properties of [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
[5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 207.15 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 68825277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).