2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate

C14H13F4O4- — CID 164747363

IUPAC2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate
SMILESO=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2CC1C1CC=CC21
InChIInChI=1S/C14H14F4O4/c15-13(16,11(19)20)14(17,18)12(21)22-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-10H,3-5H2,(H,19,20)/p-1
InChIKeyBJQHSRLLUMQPGU-UHFFFAOYSA-M
MW321.25 g/mol
LogP1.15
Rot. Bonds4

About 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate

2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate (PubChem CID 164747363) has the molecular formula C14H13F4O4- and a molecular weight of 321.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate
PubChem CID164747363
Molecular FormulaC14H13F4O4-
Molecular Weight321.25 g/mol
Exact Mass321.08
IUPAC Name2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate
SMILESO=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2CC1C1CC=CC21
InChIInChI=1S/C14H14F4O4/c15-13(16,11(19)20)14(17,18)12(21)22-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-10H,3-5H2,(H,19,20)/p-1
InChIKeyBJQHSRLLUMQPGU-UHFFFAOYSA-M
XLogP1.15
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate?
The IUPAC name of 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate (CID 164747363) is 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate is O=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2CC1C1CC=CC21.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate?
The InChIKey is BJQHSRLLUMQPGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14F4O4/c15-13(16,11(19)20)14(17,18)12(21)22-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-10H,3-5H2,(H,19,20)/p-1.
What are the key properties of 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate?
2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate has a molecular weight of 321.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-oxo-4-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)butanoate is sourced from PubChem (CID 164747363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).