5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid

C12H14F4O4 — CID 67476886

IUPAC5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C12H14F4O4/c13-11(14,9(17)18)5-12(15,16)10(19)20-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,17,18)
InChIKeyBXMTXBQYSQJJPS-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.46
Rot. Bonds5

About 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid

5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid (PubChem CID 67476886) has the molecular formula C12H14F4O4 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid
PubChem CID67476886
Molecular FormulaC12H14F4O4
Molecular Weight298.23 g/mol
Exact Mass298.08
IUPAC Name5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)C(=O)OC1CC2CCC1C2
InChIInChI=1S/C12H14F4O4/c13-11(14,9(17)18)5-12(15,16)10(19)20-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,17,18)
InChIKeyBXMTXBQYSQJJPS-UHFFFAOYSA-N
XLogP2.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid 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 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid (CID 67476886) is 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid is O=C(O)C(F)(F)CC(F)(F)C(=O)OC1CC2CCC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid?
The InChIKey is BXMTXBQYSQJJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O4/c13-11(14,9(17)18)5-12(15,16)10(19)20-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,17,18).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid?
5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid has a molecular weight of 298.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyloxy)-2,2,4,4-tetrafluoro-5-oxopentanoic acid is sourced from PubChem (CID 67476886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).