5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one

C7H7F5O2 — CID 59228906

IUPAC5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one
SMILESO=C1CCC(CC(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7H7F5O2/c8-6(9,7(10,11)12)3-4-1-2-5(13)14-4/h4H,1-3H2
InChIKeyLEAQGUNXDFUXGX-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.28
Rot. Bonds2

About 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one

5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one (PubChem CID 59228906) has the molecular formula C7H7F5O2 and a molecular weight of 218.12 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one
PubChem CID59228906
Molecular FormulaC7H7F5O2
Molecular Weight218.12 g/mol
Exact Mass218.04
IUPAC Name5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one
SMILESO=C1CCC(CC(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7H7F5O2/c8-6(9,7(10,11)12)3-4-1-2-5(13)14-4/h4H,1-3H2
InChIKeyLEAQGUNXDFUXGX-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one (CID 59228906) is 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one is O=C1CCC(CC(F)(F)C(F)(F)F)O1.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one?
The InChIKey is LEAQGUNXDFUXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O2/c8-6(9,7(10,11)12)3-4-1-2-5(13)14-4/h4H,1-3H2.
What are the key properties of 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one?
5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one has a molecular weight of 218.12 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,3-pentafluoropropyl)oxolan-2-one is sourced from PubChem (CID 59228906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).