methyl 4-fluoro-1,3-dioxolane-4-carboxylate

C5H7FO4 — CID 134599825

IUPACmethyl 4-fluoro-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)C1(F)COCO1
InChIInChI=1S/C5H7FO4/c1-8-4(7)5(6)2-9-3-10-5/h2-3H2,1H3
InChIKeyRMVKWNFFIDEWAX-UHFFFAOYSA-N
MW150.10 g/mol
LogP-0.17
Rot. Bonds1

About methyl 4-fluoro-1,3-dioxolane-4-carboxylate

methyl 4-fluoro-1,3-dioxolane-4-carboxylate (PubChem CID 134599825) has the molecular formula C5H7FO4 and a molecular weight of 150.10 g/mol. Its IUPAC name is methyl 4-fluoro-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-1,3-dioxolane-4-carboxylate
PubChem CID134599825
Molecular FormulaC5H7FO4
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Namemethyl 4-fluoro-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)C1(F)COCO1
InChIInChI=1S/C5H7FO4/c1-8-4(7)5(6)2-9-3-10-5/h2-3H2,1H3
InChIKeyRMVKWNFFIDEWAX-UHFFFAOYSA-N
XLogP-0.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
methyl 3-[ethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185096
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl 3-(4-oxocyclohexyl)oxetane-3-carboxylate
CID 133054096
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
methyl 2-acetyl-1,2-dimethylcyclopropane-1-carboxylate
CID 45086506
methyl 2-iodo-1,3-dioxolane-2-carboxylate
CID 146529890
methyl 3-fluorodiazirine-3-carboxylate
CID 101357816
methyl 2-cyclopentyloxirane-2-carboxylate
CID 91618657

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 4-fluoro-1,3-dioxolane-4-carboxylate (CID 134599825) is methyl 4-fluoro-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 4-fluoro-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 4-fluoro-1,3-dioxolane-4-carboxylate is COC(=O)C1(F)COCO1.
What is the InChIKey of methyl 4-fluoro-1,3-dioxolane-4-carboxylate?
The InChIKey is RMVKWNFFIDEWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4/c1-8-4(7)5(6)2-9-3-10-5/h2-3H2,1H3.
What are the key properties of methyl 4-fluoro-1,3-dioxolane-4-carboxylate?
methyl 4-fluoro-1,3-dioxolane-4-carboxylate has a molecular weight of 150.10 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).