4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane

C8H7F9O — CID 58731910

IUPAC4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane
SMILESCC(F)(F)C1C(F)(F)C(F)(F)OC1(F)C(C)(F)F
InChIInChI=1S/C8H7F9O/c1-4(9,10)3-6(13,14)8(16,17)18-7(3,15)5(2,11)12/h3H,1-2H3
InChIKeyOISOXCVKLCGJRW-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.84
Rot. Bonds2

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

4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane (PubChem CID 58731910) has the molecular formula C8H7F9O and a molecular weight of 290.13 g/mol. Its IUPAC name is 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane.

Molecular Properties

Compound Name4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane
PubChem CID58731910
Molecular FormulaC8H7F9O
Molecular Weight290.13 g/mol
Exact Mass290.04
IUPAC Name4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane
SMILESCC(F)(F)C1C(F)(F)C(F)(F)OC1(F)C(C)(F)F
InChIInChI=1S/C8H7F9O/c1-4(9,10)3-6(13,14)8(16,17)18-7(3,15)5(2,11)12/h3H,1-2H3
InChIKeyOISOXCVKLCGJRW-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Heptafluoropropyl)oxolane
CID 71345323
3-Butyl-2,2,3,4,4,5,5-heptafluorooxolane
CID 15788982
5-Ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
CID 20725476
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
5-(1,1-Difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane
CID 20793160
2,3-Diethyl-2,3,4,4,5,5-hexafluorooxolane
CID 20802273
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
2,4-Diethyl-2,3,3,4,5,5-hexafluorooxolane
CID 21397503
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
CID 54203988
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
CID 54203989
2-Ethyl-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
CID 57549742
5-(1,1-Difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane
CID 58488791

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
The IUPAC name of 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane (CID 58731910) is 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane.
What is the SMILES notation for 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
The canonical SMILES for 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane is CC(F)(F)C1C(F)(F)C(F)(F)OC1(F)C(C)(F)F.
What is the InChIKey of 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
The InChIKey is OISOXCVKLCGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O/c1-4(9,10)3-6(13,14)8(16,17)18-7(3,15)5(2,11)12/h3H,1-2H3.
What are the key properties of 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane has a molecular weight of 290.13 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane is sourced from PubChem (CID 58731910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).