ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate

C11H17FO3 — CID 13334114

IUPACethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOC(=O)C(F)C1(O)CC2CCC1C2
InChIInChI=1S/C11H17FO3/c1-2-15-10(13)9(12)11(14)6-7-3-4-8(11)5-7/h7-9,14H,2-6H2,1H3
InChIKeyPEHKMMIEABORHK-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.44
Rot. Bonds3

About ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate

ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 13334114) has the molecular formula C11H17FO3 and a molecular weight of 216.25 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID13334114
Molecular FormulaC11H17FO3
Molecular Weight216.25 g/mol
Exact Mass216.12
IUPAC Nameethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCCOC(=O)C(F)C1(O)CC2CCC1C2
InChIInChI=1S/C11H17FO3/c1-2-15-10(13)9(12)11(14)6-7-3-4-8(11)5-7/h7-9,14H,2-6H2,1H3
InChIKeyPEHKMMIEABORHK-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate 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 ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate (CID 13334114) is ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate is CCOC(=O)C(F)C1(O)CC2CCC1C2.
What is the InChIKey of ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is PEHKMMIEABORHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO3/c1-2-15-10(13)9(12)11(14)6-7-3-4-8(11)5-7/h7-9,14H,2-6H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate?
ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 216.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 13334114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).