2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone

C6H4F6O3 — CID 14401466

IUPAC2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
SMILESO=C(C(F)(F)F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C6H4F6O3/c7-5(8,9)3(13)4(6(10,11)12)14-1-2-15-4/h1-2H2
InChIKeyQOYPCSLSYHDTTE-UHFFFAOYSA-N
MW238.08 g/mol
LogP1.42
Rot. Bonds1

About 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone

2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone (PubChem CID 14401466) has the molecular formula C6H4F6O3 and a molecular weight of 238.08 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
PubChem CID14401466
Molecular FormulaC6H4F6O3
Molecular Weight238.08 g/mol
Exact Mass238.01
IUPAC Name2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
SMILESO=C(C(F)(F)F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C6H4F6O3/c7-5(8,9)3(13)4(6(10,11)12)14-1-2-15-4/h1-2H2
InChIKeyQOYPCSLSYHDTTE-UHFFFAOYSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 12419777
(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
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;hydrate
CID 14401467
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
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
1-(1,3-Dioxolan-2-yl)-2,2,2-trifluoroethan-1-one
CID 45080734
[Difluoro-[4-fluoro-4-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolan-2-yl]methyl] 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 57972471

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone (CID 14401466) is 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone is O=C(C(F)(F)F)C1(C(F)(F)F)OCCO1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone?
The InChIKey is QOYPCSLSYHDTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O3/c7-5(8,9)3(13)4(6(10,11)12)14-1-2-15-4/h1-2H2.
What are the key properties of 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone?
2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone has a molecular weight of 238.08 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone is sourced from PubChem (CID 14401466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).