2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride

C4HF5O3 — CID 58692129

IUPAC2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(F)OC(F)C(F)(F)O1
InChIInChI=1S/C4HF5O3/c5-1(10)4(9)11-2(6)3(7,8)12-4/h2H
InChIKeyGIAWITXJGSTGAE-UHFFFAOYSA-N
MW192.04 g/mol
LogP1.04
Rot. Bonds1

About 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride

2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 58692129) has the molecular formula C4HF5O3 and a molecular weight of 192.04 g/mol. Its IUPAC name is 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride
PubChem CID58692129
Molecular FormulaC4HF5O3
Molecular Weight192.04 g/mol
Exact Mass191.98
IUPAC Name2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(F)OC(F)C(F)(F)O1
InChIInChI=1S/C4HF5O3/c5-1(10)4(9)11-2(6)3(7,8)12-4/h2H
InChIKeyGIAWITXJGSTGAE-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 51.04
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 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride (CID 58692129) is 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride is O=C(F)C1(F)OC(F)C(F)(F)O1.
What is the InChIKey of 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is GIAWITXJGSTGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O3/c5-1(10)4(9)11-2(6)3(7,8)12-4/h2H.
What are the key properties of 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride?
2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 192.04 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetrafluoro-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 58692129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).