acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane

C9H8F8O2 — CID 163960521

IUPACacetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESC#C.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C7H6F8O2.C2H2/c1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;1-2/h1-2H3;1-2H
InChIKeySHAGXWFDGIVLNL-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.47
Rot. Bonds1

About acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane

acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 163960521) has the molecular formula C9H8F8O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Nameacetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID163960521
Molecular FormulaC9H8F8O2
Molecular Weight300.15 g/mol
Exact Mass300.04
IUPAC Nameacetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESC#C.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C7H6F8O2.C2H2/c1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;1-2/h1-2H3;1-2H
InChIKeySHAGXWFDGIVLNL-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;octa-2,4,6-triyne
CID 163572063
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
CID 58696612
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
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 58961464
butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 174909301
2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
CID 71396792
CID 175824010
CID 175824010
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 170016088
hexadecyl(trimethyl)azanium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;bromide
CID 175179340
2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 22090858

Frequently Asked Questions

What is the IUPAC name of acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane (CID 163960521) is acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane is C#C.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1.
What is the InChIKey of acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is SHAGXWFDGIVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O2.C2H2/c1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;1-2/h1-2H3;1-2H.
What are the key properties of acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 300.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 163960521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).