2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane

C7H5F9O — CID 58813259

IUPAC2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
SMILESFCC(F)C1(F)OC(F)(F)C(F)(F)C1(F)CF
InChIInChI=1S/C7H5F9O/c8-1-3(10)5(12)4(11,2-9)6(13,14)7(15,16)17-5/h3H,1-2H2
InChIKeyAQLBTVJIAPIFPX-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.90
Rot. Bonds3

About 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane

2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane (PubChem CID 58813259) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane.

Molecular Properties

Compound Name2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
PubChem CID58813259
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
SMILESFCC(F)C1(F)OC(F)(F)C(F)(F)C1(F)CF
InChIInChI=1S/C7H5F9O/c8-1-3(10)5(12)4(11,2-9)6(13,14)7(15,16)17-5/h3H,1-2H2
InChIKeyAQLBTVJIAPIFPX-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.90
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
(3S,5R)-2,2,3,4,4,5-hexafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolane
CID 22808847
(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
CID 175884602
2-Fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
CID 12730902
2,2,3,3,4,5,5-Heptafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
CID 20388264
5-Ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
CID 20725476
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
(3R,5S)-2,2,3,4,4,5-hexafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolane
CID 23236426
(3R,5R)-2,2,3,4,4,5-hexafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolane
CID 23236427

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane?
The IUPAC name of 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane (CID 58813259) is 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane.
What is the SMILES notation for 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane?
The canonical SMILES for 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane is FCC(F)C1(F)OC(F)(F)C(F)(F)C1(F)CF.
What is the InChIKey of 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane?
The InChIKey is AQLBTVJIAPIFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c8-1-3(10)5(12)4(11,2-9)6(13,14)7(15,16)17-5/h3H,1-2H2.
What are the key properties of 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane?
2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane has a molecular weight of 276.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane is sourced from PubChem (CID 58813259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).