4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one

C7H7FO6 — CID 170152528

IUPAC4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one
SMILESO=c1occ(COC2OCC(F)O2)o1
InChIInChI=1S/C7H7FO6/c8-5-3-12-7(14-5)11-2-4-1-10-6(9)13-4/h1,5,7H,2-3H2
InChIKeyUVHMFEGPSCIHAD-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.38
Rot. Bonds3

About 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one

4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one (PubChem CID 170152528) has the molecular formula C7H7FO6 and a molecular weight of 206.12 g/mol. Its IUPAC name is 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one
PubChem CID170152528
Molecular FormulaC7H7FO6
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one
SMILESO=c1occ(COC2OCC(F)O2)o1
InChIInChI=1S/C7H7FO6/c8-5-3-12-7(14-5)11-2-4-1-10-6(9)13-4/h1,5,7H,2-3H2
InChIKeyUVHMFEGPSCIHAD-UHFFFAOYSA-N
XLogP0.38
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one (CID 170152528) is 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one is O=c1occ(COC2OCC(F)O2)o1.
What is the InChIKey of 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one?
The InChIKey is UVHMFEGPSCIHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO6/c8-5-3-12-7(14-5)11-2-4-1-10-6(9)13-4/h1,5,7H,2-3H2.
What are the key properties of 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one?
4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one has a molecular weight of 206.12 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one is sourced from PubChem (CID 170152528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).