2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid

C16H19FO3 — CID 24945243

IUPAC2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCCC1COC2
InChIInChI=1S/C16H19FO3/c17-14-6-4-11(5-7-14)16(8-15(18)19)12-2-1-3-13(16)10-20-9-12/h4-7,12-13H,1-3,8-10H2,(H,18,19)
InChIKeyUEEXLIOOVWMWCE-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.98
Rot. Bonds3

About 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid

2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid (PubChem CID 24945243) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid
PubChem CID24945243
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCCC1COC2
InChIInChI=1S/C16H19FO3/c17-14-6-4-11(5-7-14)16(8-15(18)19)12-2-1-3-13(16)10-20-9-12/h4-7,12-13H,1-3,8-10H2,(H,18,19)
InChIKeyUEEXLIOOVWMWCE-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid?
The IUPAC name of 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid (CID 24945243) is 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid.
What is the SMILES notation for 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid?
The canonical SMILES for 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CCCC1COC2.
What is the InChIKey of 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid?
The InChIKey is UEEXLIOOVWMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c17-14-6-4-11(5-7-14)16(8-15(18)19)12-2-1-3-13(16)10-20-9-12/h4-7,12-13H,1-3,8-10H2,(H,18,19).
What are the key properties of 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid?
2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid has a molecular weight of 278.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-fluorophenyl)-3-oxabicyclo[3.3.1]nonan-9-yl]acetic acid is sourced from PubChem (CID 24945243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).