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

C5H5F3O3 — CID 89135258

IUPAC4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
SMILESCC1(C(=O)F)OCC(F)(F)O1
InChIInChI=1S/C5H5F3O3/c1-4(3(6)9)10-2-5(7,8)11-4/h2H2,1H3
InChIKeyGOQXDKMMJYUDEL-UHFFFAOYSA-N
MW170.09 g/mol
LogP0.84
Rot. Bonds1

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

4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 89135258) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
PubChem CID89135258
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Name4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
SMILESCC1(C(=O)F)OCC(F)(F)O1
InChIInChI=1S/C5H5F3O3/c1-4(3(6)9)10-2-5(7,8)11-4/h2H2,1H3
InChIKeyGOQXDKMMJYUDEL-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

(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 131860682
4,4-Difluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 11449214
Methyl 4-methyl-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 11492212
5-Methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 12419778
Methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
CID 14401464
2,2,2-Trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
CID 14401466
2,2,2-Trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone;hydrate
CID 14401467
(2-Methyl-1,3-dioxolan-2-yl)methyl 3,3,3-trifluoro-2-fluorooxy-2-(1,1,2-trifluoroethoxy)propanoate
CID 20733516
2-Ethyl-2-(trifluoromethyl)-1,3-dioxolan-4-one
CID 22949884
5-Ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 22953104
4,4,5-Trifluoro-2,5-dimethyl-1,3-dioxolane-2-carbonyl fluoride
CID 23183648
4-Fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride
CID 23542756

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride (CID 89135258) is 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride is CC1(C(=O)F)OCC(F)(F)O1.
What is the InChIKey of 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is GOQXDKMMJYUDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3/c1-4(3(6)9)10-2-5(7,8)11-4/h2H2,1H3.
What are the key properties of 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride?
4,4-difluoro-2-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 4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 89135258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).