4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one

C4H4ClFO3 — CID 71434733

IUPAC4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one
SMILESCC1(Cl)OC(=O)OC1F
InChIInChI=1S/C4H4ClFO3/c1-4(5)2(6)8-3(7)9-4/h2H,1H3
InChIKeyOXXIZWHRUMPOCP-UHFFFAOYSA-N
MW154.52 g/mol
LogP1.40
Rot. Bonds

About 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one

4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one (PubChem CID 71434733) has the molecular formula C4H4ClFO3 and a molecular weight of 154.52 g/mol. Its IUPAC name is 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one
PubChem CID71434733
Molecular FormulaC4H4ClFO3
Molecular Weight154.52 g/mol
Exact Mass153.98
IUPAC Name4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one
SMILESCC1(Cl)OC(=O)OC1F
InChIInChI=1S/C4H4ClFO3/c1-4(5)2(6)8-3(7)9-4/h2H,1H3
InChIKeyOXXIZWHRUMPOCP-UHFFFAOYSA-N
XLogP1.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.52
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one (CID 71434733) is 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one is CC1(Cl)OC(=O)OC1F.
What is the InChIKey of 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one?
The InChIKey is OXXIZWHRUMPOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFO3/c1-4(5)2(6)8-3(7)9-4/h2H,1H3.
What are the key properties of 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one?
4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one has a molecular weight of 154.52 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 71434733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).