4-ethynyl-5-(2-fluoroethyl)oxolan-2-one

C8H9FO2 — CID 89449803

IUPAC4-ethynyl-5-(2-fluoroethyl)oxolan-2-one
SMILESC#CC1CC(=O)OC1CCF
InChIInChI=1S/C8H9FO2/c1-2-6-5-8(10)11-7(6)3-4-9/h1,6-7H,3-5H2
InChIKeyXOYNRMPCPWLSJO-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.91
Rot. Bonds2

About 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one

4-ethynyl-5-(2-fluoroethyl)oxolan-2-one (PubChem CID 89449803) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one.

Molecular Properties

Compound Name4-ethynyl-5-(2-fluoroethyl)oxolan-2-one
PubChem CID89449803
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name4-ethynyl-5-(2-fluoroethyl)oxolan-2-one
SMILESC#CC1CC(=O)OC1CCF
InChIInChI=1S/C8H9FO2/c1-2-6-5-8(10)11-7(6)3-4-9/h1,6-7H,3-5H2
InChIKeyXOYNRMPCPWLSJO-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one
CID 58069390
(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one
CID 58681814
(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
CID 59741611
4-Propyl-5-(trifluoromethyl)oxolan-2-one
CID 60084178
5-Ethyl-3-fluoro-3,4-dimethyloxolan-2-one
CID 72372504
(4R)-4-ethynyl-5-(2,2,2-trifluoroethyl)oxolan-2-one
CID 89441942
4-Ethynyl-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one
CID 89441944
4-Ethyl-5-ethynyl-4-fluorooxolan-2-one
CID 89442014
(3R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
CID 89448776
4-Ethynyl-5-(fluoromethyl)oxolan-2-one
CID 89449791
5-Ethynyl-4-(2-fluoroethyl)oxolan-2-one
CID 89449798
5-(2,2-Difluoroethyl)-4-ethynyloxolan-2-one
CID 89449799

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one?
The IUPAC name of 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one (CID 89449803) is 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one.
What is the SMILES notation for 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one?
The canonical SMILES for 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one is C#CC1CC(=O)OC1CCF.
What is the InChIKey of 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one?
The InChIKey is XOYNRMPCPWLSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-2-6-5-8(10)11-7(6)3-4-9/h1,6-7H,3-5H2.
What are the key properties of 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one?
4-ethynyl-5-(2-fluoroethyl)oxolan-2-one has a molecular weight of 156.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-5-(2-fluoroethyl)oxolan-2-one is sourced from PubChem (CID 89449803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).