5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol

C7H7F3O2 — CID 90002737

IUPAC5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol
SMILESCC1=COC(O)C(C(F)(F)F)=C1
InChIInChI=1S/C7H7F3O2/c1-4-2-5(7(8,9)10)6(11)12-3-4/h2-3,6,11H,1H3
InChIKeyRAGYYGGNIACSPE-UHFFFAOYSA-N
MW180.12 g/mol
LogP1.73
Rot. Bonds

About 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol

5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol (PubChem CID 90002737) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol
PubChem CID90002737
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol
SMILESCC1=COC(O)C(C(F)(F)F)=C1
InChIInChI=1S/C7H7F3O2/c1-4-2-5(7(8,9)10)6(11)12-3-4/h2-3,6,11H,1H3
InChIKeyRAGYYGGNIACSPE-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-(trifluoromethyl)-2H-pyran-2-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 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol (CID 90002737) is 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol is CC1=COC(O)C(C(F)(F)F)=C1.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol?
The InChIKey is RAGYYGGNIACSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O2/c1-4-2-5(7(8,9)10)6(11)12-3-4/h2-3,6,11H,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol?
5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol has a molecular weight of 180.12 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-2H-pyran-2-ol is sourced from PubChem (CID 90002737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).