(2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate

C5H5FO5 — CID 102596545

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate
SMILESO=C(F)OCC1COC(=O)O1
InChIInChI=1S/C5H5FO5/c6-4(7)9-1-3-2-10-5(8)11-3/h3H,1-2H2
InChIKeyBPFIXYPATJUZGP-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.63
Rot. Bonds2

About (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate

(2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate (PubChem CID 102596545) has the molecular formula C5H5FO5 and a molecular weight of 164.09 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate
PubChem CID102596545
Molecular FormulaC5H5FO5
Molecular Weight164.09 g/mol
Exact Mass164.01
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate
SMILESO=C(F)OCC1COC(=O)O1
InChIInChI=1S/C5H5FO5/c6-4(7)9-1-3-2-10-5(8)11-3/h3H,1-2H2
InChIKeyBPFIXYPATJUZGP-UHFFFAOYSA-N
XLogP0.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate (CID 102596545) is (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate is O=C(F)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate?
The InChIKey is BPFIXYPATJUZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO5/c6-4(7)9-1-3-2-10-5(8)11-3/h3H,1-2H2.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate?
(2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate has a molecular weight of 164.09 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl carbonofluoridate is sourced from PubChem (CID 102596545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).