4-fluoro-5-methyl-1,3-dioxole

C4H5FO2 — CID 118065688

IUPAC4-fluoro-5-methyl-1,3-dioxole
SMILESCC1=C(F)OCO1
InChIInChI=1S/C4H5FO2/c1-3-4(5)7-2-6-3/h2H2,1H3
InChIKeyFBZUHZMYAAIYCG-UHFFFAOYSA-N
MW104.08 g/mol
LogP1.15
Rot. Bonds

About 4-fluoro-5-methyl-1,3-dioxole

4-fluoro-5-methyl-1,3-dioxole (PubChem CID 118065688) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1,3-dioxole.

Molecular Properties

Compound Name4-fluoro-5-methyl-1,3-dioxole
PubChem CID118065688
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name4-fluoro-5-methyl-1,3-dioxole
SMILESCC1=C(F)OCO1
InChIInChI=1S/C4H5FO2/c1-3-4(5)7-2-6-3/h2H2,1H3
InChIKeyFBZUHZMYAAIYCG-UHFFFAOYSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5-methyl-1,3-dioxole 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 4-fluoro-5-methyl-1,3-dioxole?
The IUPAC name of 4-fluoro-5-methyl-1,3-dioxole (CID 118065688) is 4-fluoro-5-methyl-1,3-dioxole.
What is the SMILES notation for 4-fluoro-5-methyl-1,3-dioxole?
The canonical SMILES for 4-fluoro-5-methyl-1,3-dioxole is CC1=C(F)OCO1.
What is the InChIKey of 4-fluoro-5-methyl-1,3-dioxole?
The InChIKey is FBZUHZMYAAIYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c1-3-4(5)7-2-6-3/h2H2,1H3.
What are the key properties of 4-fluoro-5-methyl-1,3-dioxole?
4-fluoro-5-methyl-1,3-dioxole has a molecular weight of 104.08 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1,3-dioxole is sourced from PubChem (CID 118065688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).