5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one

C7H6F2O4 — CID 79873294

IUPAC5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1OC(F)F
InChIInChI=1S/C7H6F2O4/c8-7(9)13-6-3-12-4(2-10)1-5(6)11/h1,3,7,10H,2H2
InChIKeyXQHZHNMWIKYNOO-UHFFFAOYSA-N
MW192.12 g/mol
LogP0.73
Rot. Bonds3

About 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one

5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one (PubChem CID 79873294) has the molecular formula C7H6F2O4 and a molecular weight of 192.12 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one
PubChem CID79873294
Molecular FormulaC7H6F2O4
Molecular Weight192.12 g/mol
Exact Mass192.02
IUPAC Name5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1OC(F)F
InChIInChI=1S/C7H6F2O4/c8-7(9)13-6-3-12-4(2-10)1-5(6)11/h1,3,7,10H,2H2
InChIKeyXQHZHNMWIKYNOO-UHFFFAOYSA-N
XLogP0.73
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one 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-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one (CID 79873294) is 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one is O=c1cc(CO)occ1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one?
The InChIKey is XQHZHNMWIKYNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O4/c8-7(9)13-6-3-12-4(2-10)1-5(6)11/h1,3,7,10H,2H2.
What are the key properties of 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one?
5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one has a molecular weight of 192.12 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 79873294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).