2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid

C16H17FO3 — CID 59337011

IUPAC2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCC1CC(=O)C2
InChIInChI=1S/C16H17FO3/c17-13-5-3-10(4-6-13)16(9-15(19)20)11-1-2-12(16)8-14(18)7-11/h3-6,11-12H,1-2,7-9H2,(H,19,20)
InChIKeyHVZGLBHJBVWBMD-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.93
Rot. Bonds3

About 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid

2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid (PubChem CID 59337011) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid.

Molecular Properties

Compound Name2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid
PubChem CID59337011
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCC1CC(=O)C2
InChIInChI=1S/C16H17FO3/c17-13-5-3-10(4-6-13)16(9-15(19)20)11-1-2-12(16)8-14(18)7-11/h3-6,11-12H,1-2,7-9H2,(H,19,20)
InChIKeyHVZGLBHJBVWBMD-UHFFFAOYSA-N
XLogP2.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid?
The IUPAC name of 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid (CID 59337011) is 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid.
What is the SMILES notation for 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid?
The canonical SMILES for 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CCC1CC(=O)C2.
What is the InChIKey of 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid?
The InChIKey is HVZGLBHJBVWBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c17-13-5-3-10(4-6-13)16(9-15(19)20)11-1-2-12(16)8-14(18)7-11/h3-6,11-12H,1-2,7-9H2,(H,19,20).
What are the key properties of 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid?
2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid has a molecular weight of 276.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid is sourced from PubChem (CID 59337011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).