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

C6H5F7O — CID 58545270

IUPAC5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane
SMILESCC(F)(F)C1(F)CC(F)(F)C(F)(F)O1
InChIInChI=1S/C6H5F7O/c1-3(7,8)5(11)2-4(9,10)6(12,13)14-5/h2H2,1H3
InChIKeyLGDPMDNJVVKHAQ-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.96
Rot. Bonds1

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

5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane (PubChem CID 58545270) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane
PubChem CID58545270
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane
SMILESCC(F)(F)C1(F)CC(F)(F)C(F)(F)O1
InChIInChI=1S/C6H5F7O/c1-3(7,8)5(11)2-4(9,10)6(12,13)14-5/h2H2,1H3
InChIKeyLGDPMDNJVVKHAQ-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
The IUPAC name of 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane (CID 58545270) is 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
The canonical SMILES for 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane is CC(F)(F)C1(F)CC(F)(F)C(F)(F)O1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
The InChIKey is LGDPMDNJVVKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-3(7,8)5(11)2-4(9,10)6(12,13)14-5/h2H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane?
5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane has a molecular weight of 226.09 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2,2,3,3,5-pentafluorooxolane is sourced from PubChem (CID 58545270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).