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

C7H6F4O6 — CID 22086170

IUPACmethyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(F)OC(=O)C(OC)(C(F)(F)F)O1
InChIInChI=1S/C7H6F4O6/c1-14-4(13)6(8)16-3(12)5(15-2,17-6)7(9,10)11/h1-2H3
InChIKeyCFHQVTQQAKLUIL-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.26
Rot. Bonds2

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

methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate (PubChem CID 22086170) has the molecular formula C7H6F4O6 and a molecular weight of 262.11 g/mol. Its IUPAC name is methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate
PubChem CID22086170
Molecular FormulaC7H6F4O6
Molecular Weight262.11 g/mol
Exact Mass262.01
IUPAC Namemethyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESCOC(=O)C1(F)OC(=O)C(OC)(C(F)(F)F)O1
InChIInChI=1S/C7H6F4O6/c1-14-4(13)6(8)16-3(12)5(15-2,17-6)7(9,10)11/h1-2H3
InChIKeyCFHQVTQQAKLUIL-UHFFFAOYSA-N
XLogP0.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The IUPAC name of methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate (CID 22086170) is methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The canonical SMILES for methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate is COC(=O)C1(F)OC(=O)C(OC)(C(F)(F)F)O1.
What is the InChIKey of methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The InChIKey is CFHQVTQQAKLUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O6/c1-14-4(13)6(8)16-3(12)5(15-2,17-6)7(9,10)11/h1-2H3.
What are the key properties of methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate has a molecular weight of 262.11 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-methoxy-5-oxo-4-(trifluoromethyl)-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 22086170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).