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

C6H5F3O2 — CID 151173076

IUPAC6-(trifluoromethyl)-2H-pyran-2-ol
SMILESOC1C=CC=C(C(F)(F)F)O1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3,5,10H
InChIKeyNCRPVZJVOYPJSI-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.34
Rot. Bonds

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

6-(trifluoromethyl)-2H-pyran-2-ol (PubChem CID 151173076) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2H-pyran-2-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)-2H-pyran-2-ol
PubChem CID151173076
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name6-(trifluoromethyl)-2H-pyran-2-ol
SMILESOC1C=CC=C(C(F)(F)F)O1
InChIInChI=1S/C6H5F3O2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3,5,10H
InChIKeyNCRPVZJVOYPJSI-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2H-pyran-2-ol?
The IUPAC name of 6-(trifluoromethyl)-2H-pyran-2-ol (CID 151173076) is 6-(trifluoromethyl)-2H-pyran-2-ol.
What is the SMILES notation for 6-(trifluoromethyl)-2H-pyran-2-ol?
The canonical SMILES for 6-(trifluoromethyl)-2H-pyran-2-ol is OC1C=CC=C(C(F)(F)F)O1.
What is the InChIKey of 6-(trifluoromethyl)-2H-pyran-2-ol?
The InChIKey is NCRPVZJVOYPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3,5,10H.
What are the key properties of 6-(trifluoromethyl)-2H-pyran-2-ol?
6-(trifluoromethyl)-2H-pyran-2-ol has a molecular weight of 166.10 g/mol, XLogP of 1.34, 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-2-ol is sourced from PubChem (CID 151173076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).