2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride

C4H2F4O3 — CID 58692135

IUPAC2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(F)OCC(F)(F)O1
InChIInChI=1S/C4H2F4O3/c5-2(9)4(8)10-1-3(6,7)11-4/h1H2
InChIKeyMMEJFSINXVQLEG-UHFFFAOYSA-N
MW174.05 g/mol
LogP0.75
Rot. Bonds1

About 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride

2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 58692135) has the molecular formula C4H2F4O3 and a molecular weight of 174.05 g/mol. Its IUPAC name is 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride
PubChem CID58692135
Molecular FormulaC4H2F4O3
Molecular Weight174.05 g/mol
Exact Mass173.99
IUPAC Name2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(F)OCC(F)(F)O1
InChIInChI=1S/C4H2F4O3/c5-2(9)4(8)10-1-3(6,7)11-4/h1H2
InChIKeyMMEJFSINXVQLEG-UHFFFAOYSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.05
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride (CID 58692135) is 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride is O=C(F)C1(F)OCC(F)(F)O1.
What is the InChIKey of 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is MMEJFSINXVQLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O3/c5-2(9)4(8)10-1-3(6,7)11-4/h1H2.
What are the key properties of 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride?
2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 174.05 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trifluoro-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 58692135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).