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

C6H2F8O3 — CID 23542756

IUPAC4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride
SMILESO=C(F)C1(F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H2F8O3/c7-2(15)3(8)1-16-4(17-3,5(9,10)11)6(12,13)14/h1H2
InChIKeyDOIPCDPGSSPELW-UHFFFAOYSA-N
MW274.06 g/mol
LogP2.02
Rot. Bonds1

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

4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride (PubChem CID 23542756) has the molecular formula C6H2F8O3 and a molecular weight of 274.06 g/mol. Its IUPAC name is 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride.

Molecular Properties

Compound Name4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride
PubChem CID23542756
Molecular FormulaC6H2F8O3
Molecular Weight274.06 g/mol
Exact Mass273.99
IUPAC Name4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride
SMILESO=C(F)C1(F)COC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H2F8O3/c7-2(15)3(8)1-16-4(17-3,5(9,10)11)6(12,13)14/h1H2
InChIKeyDOIPCDPGSSPELW-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.02
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-Bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 12419777
4,5,5-trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl Fluoride
CID 11174344
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl Fluoride
CID 11333283
4,4-Difluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 11449214
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
4-Fluoro-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 23542757
[Difluoro-[4-fluoro-2,4-bis(trifluoromethyl)-1,3-dioxolan-2-yl]methyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 23542759
4,4,5-Trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 57972483
2-(Trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 58637701
2,4,4,5-Tetrafluoro-1,3-dioxolane-2-carbonyl fluoride
CID 58692129
2,4,4-Trifluoro-1,3-dioxolane-2-carbonyl fluoride
CID 58692135

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
The IUPAC name of 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride (CID 23542756) is 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride.
What is the SMILES notation for 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
The canonical SMILES for 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride is O=C(F)C1(F)COC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
The InChIKey is DOIPCDPGSSPELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O3/c7-2(15)3(8)1-16-4(17-3,5(9,10)11)6(12,13)14/h1H2.
What are the key properties of 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride?
4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride has a molecular weight of 274.06 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane-4-carbonyl fluoride is sourced from PubChem (CID 23542756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).