1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one

C6H7FO6 — CID 157198471

IUPAC1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1.O=C1OCCO1
InChIInChI=1S/C3H3FO3.C3H4O3/c4-2-1-6-3(5)7-2;4-3-5-1-2-6-3/h2H,1H2;1-2H2
InChIKeyAQNHDRXYMSWXQP-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.60
Rot. Bonds

About 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one

1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one (PubChem CID 157198471) has the molecular formula C6H7FO6 and a molecular weight of 194.11 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
PubChem CID157198471
Molecular FormulaC6H7FO6
Molecular Weight194.11 g/mol
Exact Mass194.02
IUPAC Name1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1.O=C1OCCO1
InChIInChI=1S/C3H3FO3.C3H4O3/c4-2-1-6-3(5)7-2;4-3-5-1-2-6-3/h2H,1H2;1-2H2
InChIKeyAQNHDRXYMSWXQP-UHFFFAOYSA-N
XLogP0.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-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 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
The IUPAC name of 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one (CID 157198471) is 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
The canonical SMILES for 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one is O=C1OCC(F)O1.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
The InChIKey is AQNHDRXYMSWXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO3.C3H4O3/c4-2-1-6-3(5)7-2;4-3-5-1-2-6-3/h2H,1H2;1-2H2.
What are the key properties of 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one?
1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one has a molecular weight of 194.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 157198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).