methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate

C8H6F6O6 — CID 15175724

IUPACmethyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(C(F)(F)F)OC(=O)C(OC)(C(F)(F)F)O1
InChIInChI=1S/C8H6F6O6/c1-17-3(15)6(8(12,13)14)19-4(16)5(18-2,20-6)7(9,10)11/h1-2H3
InChIKeyMOKNXBMXQLHKRL-UHFFFAOYSA-N
MW312.12 g/mol
LogP0.90
Rot. Bonds2

About methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate

methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate (PubChem CID 15175724) has the molecular formula C8H6F6O6 and a molecular weight of 312.12 g/mol. Its IUPAC name is methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
PubChem CID15175724
Molecular FormulaC8H6F6O6
Molecular Weight312.12 g/mol
Exact Mass312.01
IUPAC Namemethyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(C(F)(F)F)OC(=O)C(OC)(C(F)(F)F)O1
InChIInChI=1S/C8H6F6O6/c1-17-3(15)6(8(12,13)14)19-4(16)5(18-2,20-6)7(9,10)11/h1-2H3
InChIKeyMOKNXBMXQLHKRL-UHFFFAOYSA-N
XLogP0.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The IUPAC name of methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate (CID 15175724) is methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate is COC(=O)C1(C(F)(F)F)OC(=O)C(OC)(C(F)(F)F)O1.
What is the InChIKey of methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The InChIKey is MOKNXBMXQLHKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O6/c1-17-3(15)6(8(12,13)14)19-4(16)5(18-2,20-6)7(9,10)11/h1-2H3.
What are the key properties of methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate has a molecular weight of 312.12 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 15175724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).