1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone

C9H11F5O3 — CID 104752151

IUPAC1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C9H11F5O3/c10-8(11,9(12,13)14)5-17-4-7(15)6-1-2-16-3-6/h6H,1-5H2
InChIKeyKDYZIIRZXVQZEW-UHFFFAOYSA-N
MW262.17 g/mol
LogP1.81
Rot. Bonds5

About 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone

1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone (PubChem CID 104752151) has the molecular formula C9H11F5O3 and a molecular weight of 262.17 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone
PubChem CID104752151
Molecular FormulaC9H11F5O3
Molecular Weight262.17 g/mol
Exact Mass262.06
IUPAC Name1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C9H11F5O3/c10-8(11,9(12,13)14)5-17-4-7(15)6-1-2-16-3-6/h6H,1-5H2
InChIKeyKDYZIIRZXVQZEW-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone (CID 104752151) is 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)(F)F)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
The InChIKey is KDYZIIRZXVQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O3/c10-8(11,9(12,13)14)5-17-4-7(15)6-1-2-16-3-6/h6H,1-5H2.
What are the key properties of 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone?
1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone has a molecular weight of 262.17 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanone is sourced from PubChem (CID 104752151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).