4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane

C7H6F8O2 — CID 20823502

IUPAC4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
SMILESCC(F)(F)C1(F)OC(F)(F)OC1(F)C(C)(F)F
InChIInChI=1S/C7H6F8O2/c1-3(8,9)5(12)6(13,4(2,10)11)17-7(14,15)16-5/h1-2H3
InChIKeyNHUIMLOCAUPNHV-UHFFFAOYSA-N
MW274.11 g/mol
LogP3.23
Rot. Bonds2

About 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane

4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane (PubChem CID 20823502) has the molecular formula C7H6F8O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane.

Molecular Properties

Compound Name4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
PubChem CID20823502
Molecular FormulaC7H6F8O2
Molecular Weight274.11 g/mol
Exact Mass274.02
IUPAC Name4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
SMILESCC(F)(F)C1(F)OC(F)(F)OC1(F)C(C)(F)F
InChIInChI=1S/C7H6F8O2/c1-3(8,9)5(12)6(13,4(2,10)11)17-7(14,15)16-5/h1-2H3
InChIKeyNHUIMLOCAUPNHV-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane with MolForge

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Related Compounds

4,5-Difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 18683775
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 18710858
2,2,4-Trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
CID 18710860
2,4,4,5-Tetrafluoro-2,5-dimethyl-1,3-dioxolane
CID 19745406
2,2,4,4,5-Pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
4,5-Difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 20656003
4,5-Difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 20743579
2,2,4,5-Tetrafluoro-4,5-dimethyl-1,3-dioxolane
CID 20756277
2,2,4-Trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane
CID 21052209
4,4,5,5-Tetrafluoro-2,2-dimethyl-1,3-dioxolane
CID 21265086
2,2,4-Trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 22088871
4,5-Difluoro-4-(fluoromethyl)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 54235126

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane?
The IUPAC name of 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane (CID 20823502) is 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane.
What is the SMILES notation for 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane?
The canonical SMILES for 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane is CC(F)(F)C1(F)OC(F)(F)OC1(F)C(C)(F)F.
What is the InChIKey of 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane?
The InChIKey is NHUIMLOCAUPNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O2/c1-3(8,9)5(12)6(13,4(2,10)11)17-7(14,15)16-5/h1-2H3.
What are the key properties of 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane?
4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane has a molecular weight of 274.11 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane is sourced from PubChem (CID 20823502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).