(3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate

C11H15FO3 — CID 59602429

IUPAC(3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1C(=O)C2CCC1C2
InChIInChI=1S/C11H15FO3/c1-11(2,12)10(14)15-9-7-4-3-6(5-7)8(9)13/h6-7,9H,3-5H2,1-2H3
InChIKeyBPLFDMZUMFZUDA-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.65
Rot. Bonds2

About (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate

(3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate (PubChem CID 59602429) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Name(3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate
PubChem CID59602429
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name(3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1C(=O)C2CCC1C2
InChIInChI=1S/C11H15FO3/c1-11(2,12)10(14)15-9-7-4-3-6(5-7)8(9)13/h6-7,9H,3-5H2,1-2H3
InChIKeyBPLFDMZUMFZUDA-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate?
The IUPAC name of (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate (CID 59602429) is (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate.
What is the SMILES notation for (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate?
The canonical SMILES for (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate is CC(C)(F)C(=O)OC1C(=O)C2CCC1C2.
What is the InChIKey of (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate?
The InChIKey is BPLFDMZUMFZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-11(2,12)10(14)15-9-7-4-3-6(5-7)8(9)13/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate?
(3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate has a molecular weight of 214.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2-bicyclo[2.2.1]heptanyl) 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 59602429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).