4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane

C5H6F4O2 — CID 21265086

IUPAC4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5H6F4O2/c1-3(2)10-4(6,7)5(8,9)11-3/h1-2H3
InChIKeyASEMYGGXQWGRCO-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.95
Rot. Bonds

About 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane

4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane (PubChem CID 21265086) has the molecular formula C5H6F4O2 and a molecular weight of 174.09 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane
PubChem CID21265086
Molecular FormulaC5H6F4O2
Molecular Weight174.09 g/mol
Exact Mass174.03
IUPAC Name4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5H6F4O2/c1-3(2)10-4(6,7)5(8,9)11-3/h1-2H3
InChIKeyASEMYGGXQWGRCO-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
1,3-Dioxolane, 4,4,5,5-tetrafluoro-2,2-bis(trifluoromethyl)-
CID 182427
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 9856261
4,4-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 21732402
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
(4R,5R)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054756
(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054757
4,4,5-Trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846009
2,4,4,5,5-Pentafluoro-2-methyl-1,3-dioxolane
CID 12846017
2,4,4,5-Tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846019
2-(1,1,2,2,2-Pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 14401465

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane (CID 21265086) is 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane is CC1(C)OC(F)(F)C(F)(F)O1.
What is the InChIKey of 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane?
The InChIKey is ASEMYGGXQWGRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2/c1-3(2)10-4(6,7)5(8,9)11-3/h1-2H3.
What are the key properties of 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane?
4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane has a molecular weight of 174.09 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 21265086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).