methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate

C6H8F2O4 — CID 58771236

IUPACmethyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(F)OCC(C)(F)O1
InChIInChI=1S/C6H8F2O4/c1-5(7)3-11-6(8,12-5)4(9)10-2/h3H2,1-2H3
InChIKeyAVPUICBDBHDHGV-UHFFFAOYSA-N
MW182.12 g/mol
LogP0.52
Rot. Bonds1

About methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate

methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate (PubChem CID 58771236) has the molecular formula C6H8F2O4 and a molecular weight of 182.12 g/mol. Its IUPAC name is methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate
PubChem CID58771236
Molecular FormulaC6H8F2O4
Molecular Weight182.12 g/mol
Exact Mass182.04
IUPAC Namemethyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(F)OCC(C)(F)O1
InChIInChI=1S/C6H8F2O4/c1-5(7)3-11-6(8,12-5)4(9)10-2/h3H2,1-2H3
InChIKeyAVPUICBDBHDHGV-UHFFFAOYSA-N
XLogP0.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate?
The IUPAC name of methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate (CID 58771236) is methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate?
The canonical SMILES for methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate is COC(=O)C1(F)OCC(C)(F)O1.
What is the InChIKey of methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate?
The InChIKey is AVPUICBDBHDHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O4/c1-5(7)3-11-6(8,12-5)4(9)10-2/h3H2,1-2H3.
What are the key properties of methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate?
methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate has a molecular weight of 182.12 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 58771236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).