6-(trifluoromethyl)-2H-pyran-5-ol

C6H5F3O2 — CID 152662842

IUPAC6-(trifluoromethyl)-2H-pyran-5-ol
SMILESOC1=C(C(F)(F)F)OCC=C1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5-4(10)2-1-3-11-5/h1-2,10H,3H2
InChIKeyZJXBKGYZSRUBKC-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.90
Rot. Bonds

About 6-(trifluoromethyl)-2H-pyran-5-ol

6-(trifluoromethyl)-2H-pyran-5-ol (PubChem CID 152662842) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2H-pyran-5-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)-2H-pyran-5-ol
PubChem CID152662842
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name6-(trifluoromethyl)-2H-pyran-5-ol
SMILESOC1=C(C(F)(F)F)OCC=C1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5-4(10)2-1-3-11-5/h1-2,10H,3H2
InChIKeyZJXBKGYZSRUBKC-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(trifluoromethyl)-2H-pyran-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2H-pyran-5-ol?
The IUPAC name of 6-(trifluoromethyl)-2H-pyran-5-ol (CID 152662842) is 6-(trifluoromethyl)-2H-pyran-5-ol.
What is the SMILES notation for 6-(trifluoromethyl)-2H-pyran-5-ol?
The canonical SMILES for 6-(trifluoromethyl)-2H-pyran-5-ol is OC1=C(C(F)(F)F)OCC=C1.
What is the InChIKey of 6-(trifluoromethyl)-2H-pyran-5-ol?
The InChIKey is ZJXBKGYZSRUBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c7-6(8,9)5-4(10)2-1-3-11-5/h1-2,10H,3H2.
What are the key properties of 6-(trifluoromethyl)-2H-pyran-5-ol?
6-(trifluoromethyl)-2H-pyran-5-ol has a molecular weight of 166.10 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2H-pyran-5-ol is sourced from PubChem (CID 152662842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).