2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne

C36H12F16O4 — CID 163624041

IUPAC2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1.FC(F)=C1OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C24H6.C7H6F8O2.C5F8O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;6-1(7)2-14-3(8,4(9,10)11)5(12,13)15-2/h1-2H3;1-2H3;
InChIKeyHQOJLZCAZSTPBG-UHFFFAOYSA-N
MW812.46 g/mol
LogP7.21
Rot. Bonds1

About 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne

2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne (PubChem CID 163624041) has the molecular formula C36H12F16O4 and a molecular weight of 812.46 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne
PubChem CID163624041
Molecular FormulaC36H12F16O4
Molecular Weight812.46 g/mol
Exact Mass812.05
IUPAC Name2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1.FC(F)=C1OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C24H6.C7H6F8O2.C5F8O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;6-1(7)2-14-3(8,4(9,10)11)5(12,13)15-2/h1-2H3;1-2H3;
InChIKeyHQOJLZCAZSTPBG-UHFFFAOYSA-N
XLogP7.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.46
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne with MolForge

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Related Compounds

2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;octa-2,4,6-triyne
CID 163572063
acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 163960521
2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane
CID 58017921
2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane
CID 129105546
4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 89341117
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
CID 58696612
2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol
CID 89192215
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne
CID 163701748
2-(difluoromethylidene)-4,4,5-trifluoro-5-(fluoromethyl)-1,3-dioxolane
CID 59465024
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
CID 175824010
CID 175824010

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne?
The IUPAC name of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne (CID 163624041) is 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne?
The canonical SMILES for 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne is CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1.FC(F)=C1OC(F)(F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne?
The InChIKey is HQOJLZCAZSTPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H6.C7H6F8O2.C5F8O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;6-1(7)2-14-3(8,4(9,10)11)5(12,13)15-2/h1-2H3;1-2H3;.
What are the key properties of 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne?
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne has a molecular weight of 812.46 g/mol, XLogP of 7.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne is sourced from PubChem (CID 163624041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).