4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane

C9H6F12O4 — CID 90337457

IUPAC4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOC(F)(F)C(F)(F)C(F)(F)OC1(F)OC(C)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C9H6F12O4/c1-3(5(12,13)14)23-8(19,20)9(21,24-3)25-7(17,18)4(10,11)6(15,16)22-2/h1-2H3
InChIKeyIEPQIASSQNSEMB-UHFFFAOYSA-N
MW406.12 g/mol
LogP4.01
Rot. Bonds5

About 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane

4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 90337457) has the molecular formula C9H6F12O4 and a molecular weight of 406.12 g/mol. Its IUPAC name is 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID90337457
Molecular FormulaC9H6F12O4
Molecular Weight406.12 g/mol
Exact Mass406.01
IUPAC Name4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOC(F)(F)C(F)(F)C(F)(F)OC1(F)OC(C)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C9H6F12O4/c1-3(5(12,13)14)23-8(19,20)9(21,24-3)25-7(17,18)4(10,11)6(15,16)22-2/h1-2H3
InChIKeyIEPQIASSQNSEMB-UHFFFAOYSA-N
XLogP4.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(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

2,4,4,5,5-pentamethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 58961464
(1,1,2,2,3,3-hexafluoro-3-methoxypropyl) hypofluorite
CID 59010325
1,1,5,5,7,7,11,11-octafluoro-3-(fluoromethoxymethyl)-9-methyl-3,9-bis(trifluoromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 88555411
2-(1,1-difluoroethyl)-4,4,5-trifluoro-2,5-dimethyl-1,3-dioxolane
CID 58696612
2-dimethoxyphosphoryl-3,3-difluoro-2-(trifluoromethyl)oxirane
CID 12829625
4-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-3,3-bis(trifluoromethyl)oxathietane 2,2-dioxide
CID 134882247
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
1,1,1-trichloro-2,2-difluoro-2-methoxyethane
CID 12624
acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 163960521
4,5-dichloro-4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane;4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
CID 158883552
1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane
CID 87287129
fluoromethane;2,2,3,5,6-pentafluoro-3-methyl-6-(trifluoromethyl)-5-(1,2,3-trifluoropropan-2-yloxy)-1,4-dioxane
CID 167586257

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane (CID 90337457) is 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane is COC(F)(F)C(F)(F)C(F)(F)OC1(F)OC(C)(C(F)(F)F)OC1(F)F.
What is the InChIKey of 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is IEPQIASSQNSEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O4/c1-3(5(12,13)14)23-8(19,20)9(21,24-3)25-7(17,18)4(10,11)6(15,16)22-2/h1-2H3.
What are the key properties of 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?
4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 406.12 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-5-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 90337457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).