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

C8H9F5O2 — CID 170023529

IUPAC5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one
SMILESO=C1CCC(CC(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C8H9F5O2/c9-7(10,8(11,12)13)3-5-1-2-6(14)15-4-5/h5H,1-4H2
InChIKeyHPDUDUQJOSTRIU-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.53
Rot. Bonds2

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

5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one (PubChem CID 170023529) has the molecular formula C8H9F5O2 and a molecular weight of 232.15 g/mol. Its IUPAC name is 5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one.

Molecular Properties

Compound Name5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one
PubChem CID170023529
Molecular FormulaC8H9F5O2
Molecular Weight232.15 g/mol
Exact Mass232.05
IUPAC Name5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one
SMILESO=C1CCC(CC(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C8H9F5O2/c9-7(10,8(11,12)13)3-5-1-2-6(14)15-4-5/h5H,1-4H2
InChIKeyHPDUDUQJOSTRIU-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.53
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)oxan-2-one?
The IUPAC name of 5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one (CID 170023529) is 5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one.
What is the SMILES notation for 5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one?
The canonical SMILES for 5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one is O=C1CCC(CC(F)(F)C(F)(F)F)CO1.
What is the InChIKey of 5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one?
The InChIKey is HPDUDUQJOSTRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O2/c9-7(10,8(11,12)13)3-5-1-2-6(14)15-4-5/h5H,1-4H2.
What are the key properties of 5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one?
5-(2,2,3,3,3-pentafluoropropyl)oxan-2-one has a molecular weight of 232.15 g/mol, XLogP of 2.53, 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)oxan-2-one is sourced from PubChem (CID 170023529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).