2,2,3,3,5-pentafluoro-5-methyloxolane

C5H5F5O — CID 88848820

IUPAC2,2,3,3,5-pentafluoro-5-methyloxolane
SMILESCC1(F)CC(F)(F)C(F)(F)O1
InChIInChI=1S/C5H5F5O/c1-3(6)2-4(7,8)5(9,10)11-3/h2H2,1H3
InChIKeyOLSQBSAZSFDDJS-UHFFFAOYSA-N
MW176.08 g/mol
LogP2.32
Rot. Bonds

About 2,2,3,3,5-pentafluoro-5-methyloxolane

2,2,3,3,5-pentafluoro-5-methyloxolane (PubChem CID 88848820) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 2,2,3,3,5-pentafluoro-5-methyloxolane.

Molecular Properties

Compound Name2,2,3,3,5-pentafluoro-5-methyloxolane
PubChem CID88848820
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name2,2,3,3,5-pentafluoro-5-methyloxolane
SMILESCC1(F)CC(F)(F)C(F)(F)O1
InChIInChI=1S/C5H5F5O/c1-3(6)2-4(7,8)5(9,10)11-3/h2H2,1H3
InChIKeyOLSQBSAZSFDDJS-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 52.32
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 2,2,3,3,5-pentafluoro-5-methyloxolane?
The IUPAC name of 2,2,3,3,5-pentafluoro-5-methyloxolane (CID 88848820) is 2,2,3,3,5-pentafluoro-5-methyloxolane.
What is the SMILES notation for 2,2,3,3,5-pentafluoro-5-methyloxolane?
The canonical SMILES for 2,2,3,3,5-pentafluoro-5-methyloxolane is CC1(F)CC(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,3,3,5-pentafluoro-5-methyloxolane?
The InChIKey is OLSQBSAZSFDDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-3(6)2-4(7,8)5(9,10)11-3/h2H2,1H3.
What are the key properties of 2,2,3,3,5-pentafluoro-5-methyloxolane?
2,2,3,3,5-pentafluoro-5-methyloxolane has a molecular weight of 176.08 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentafluoro-5-methyloxolane is sourced from PubChem (CID 88848820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).