4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

C5H2F6O3 — CID 140503710

IUPAC4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(C(F)(F)F)OCC(F)(F)O1
InChIInChI=1S/C5H2F6O3/c6-2(12)4(5(9,10)11)13-1-3(7,8)14-4/h1H2
InChIKeyVZUVOPBUSFZEMP-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.38
Rot. Bonds1

About 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 140503710) has the molecular formula C5H2F6O3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
PubChem CID140503710
Molecular FormulaC5H2F6O3
Molecular Weight224.06 g/mol
Exact Mass223.99
IUPAC Name4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)C1(C(F)(F)F)OCC(F)(F)O1
InChIInChI=1S/C5H2F6O3/c6-2(12)4(5(9,10)11)13-1-3(7,8)14-4/h1H2
InChIKeyVZUVOPBUSFZEMP-UHFFFAOYSA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.38
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 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (CID 140503710) is 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is O=C(F)C1(C(F)(F)F)OCC(F)(F)O1.
What is the InChIKey of 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is VZUVOPBUSFZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O3/c6-2(12)4(5(9,10)11)13-1-3(7,8)14-4/h1H2.
What are the key properties of 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 224.06 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 140503710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).