2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride

C5H5F3O3 — CID 59459627

IUPAC2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride
SMILESCC1(F)COC(F)(C(=O)F)O1
InChIInChI=1S/C5H5F3O3/c1-4(7)2-10-5(8,11-4)3(6)9/h2H2,1H3
InChIKeyXSAGXUFUSDVFJK-UHFFFAOYSA-N
MW170.09 g/mol
LogP0.84
Rot. Bonds1

About 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride

2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 59459627) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride
PubChem CID59459627
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Name2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride
SMILESCC1(F)COC(F)(C(=O)F)O1
InChIInChI=1S/C5H5F3O3/c1-4(7)2-10-5(8,11-4)3(6)9/h2H2,1H3
InChIKeyXSAGXUFUSDVFJK-UHFFFAOYSA-N
XLogP0.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
CID 14401466
2-Ethyl-2-(trifluoromethyl)-1,3-dioxolan-4-one
CID 22949884
4,4,5-Trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride
CID 23183648
4-Fluoro-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 23542757
1-(1,3-Dioxolan-2-yl)-2,2,2-trifluoroethan-1-one
CID 45080734
2-(Trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 58637701
Methyl 2,4-difluoro-4-methyl-1,3-dioxolane-2-carboxylate
CID 58771236
4,4-Difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
CID 89135258
2-(Trifluoromethyl)-1,3-dioxolane-2-carboxylic acid methyl ester
CID 90315062
Fluoromethane;2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 90728691
Ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 90932562
4,4-Difluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 140503710

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride (CID 59459627) is 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride is CC1(F)COC(F)(C(=O)F)O1.
What is the InChIKey of 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is XSAGXUFUSDVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3/c1-4(7)2-10-5(8,11-4)3(6)9/h2H2,1H3.
What are the key properties of 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride?
2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 170.09 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-4-methyl-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 59459627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).