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

C4F6O3 — CID 11333283

IUPAC2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
SMILESO=C(F)C1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C4F6O3/c5-1(11)2(6)3(7,8)13-4(9,10)12-2
InChIKeyVGPBGUZCCILHGR-UHFFFAOYSA-N
MW210.03 g/mol
LogP1.34
Rot. Bonds1

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

2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride (PubChem CID 11333283) has the molecular formula C4F6O3 and a molecular weight of 210.03 g/mol. Its IUPAC name is 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride.

Molecular Properties

Compound Name2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
PubChem CID11333283
Molecular FormulaC4F6O3
Molecular Weight210.03 g/mol
Exact Mass209.98
IUPAC Name2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
SMILESO=C(F)C1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C4F6O3/c5-1(11)2(6)3(7,8)13-4(9,10)12-2
InChIKeyVGPBGUZCCILHGR-UHFFFAOYSA-N
XLogP1.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 51.34
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

2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 86282027
2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
CID 22497786
2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
CID 11403631
2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride
CID 11043025
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
CID 88638074
4,4-difluoro-2-methyl-1,3-dioxolane-2-carbonyl fluoride
CID 89135258
sodium 4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane-2-carboxylate
CID 163867000
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
CID 89164183
3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride
CID 139785161
1,2,2,3,3,4,5,5,6,6-decafluoro-4-fluorosulfonylcyclohexane-1-carbonyl fluoride
CID 19807657

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride?
The IUPAC name of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride (CID 11333283) is 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride.
What is the SMILES notation for 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride?
The canonical SMILES for 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride is O=C(F)C1(F)OC(F)(F)OC1(F)F.
What is the InChIKey of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride?
The InChIKey is VGPBGUZCCILHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O3/c5-1(11)2(6)3(7,8)13-4(9,10)12-2.
What are the key properties of 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride?
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride has a molecular weight of 210.03 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride is sourced from PubChem (CID 11333283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).