2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid

C17H17FO3 — CID 148509738

IUPAC2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
SMILESO=C(O)C[C@]1(c2ccc(F)cc2)C2CC3CC(C2)C1C3=O
InChIInChI=1S/C17H17FO3/c18-13-3-1-11(2-4-13)17(8-14(19)20)12-6-9-5-10(7-12)16(21)15(9)17/h1-4,9-10,12,15H,5-8H2,(H,19,20)/t9?,10?,12?,15?,17-/m0/s1
InChIKeyMMGNWYNXBIJJPJ-HPINSHIESA-N
MW288.32 g/mol
LogP2.78
Rot. Bonds3

About 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid

2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid (PubChem CID 148509738) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
PubChem CID148509738
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
SMILESO=C(O)C[C@]1(c2ccc(F)cc2)C2CC3CC(C2)C1C3=O
InChIInChI=1S/C17H17FO3/c18-13-3-1-11(2-4-13)17(8-14(19)20)12-6-9-5-10(7-12)16(21)15(9)17/h1-4,9-10,12,15H,5-8H2,(H,19,20)/t9?,10?,12?,15?,17-/m0/s1
InChIKeyMMGNWYNXBIJJPJ-HPINSHIESA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-Fluorophenyl)-2-adamantyl]acetic acid
CID 1475852
2-[2-(3-Fluorophenyl)-2-adamantyl]acetic acid
CID 24945156
2-[9-(4-Fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid
CID 24945160
2-[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 24945240
2-[3-(4-Fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
CID 24945242
3-[2-(4-Fluorophenyl)-2-adamantyl]propanoic acid
CID 57401469
Gibberic acid
CID 12309548
2-Phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 44151790
Nor-Spiculoic Acid A
CID 11383856
dinor-spiculoic acid A
CID 11440405
Isospiculoic Acid A
CID 11452571
Spiculoic acid A
CID 11281264

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The IUPAC name of 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid (CID 148509738) is 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid is O=C(O)C[C@]1(c2ccc(F)cc2)C2CC3CC(C2)C1C3=O.
What is the InChIKey of 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The InChIKey is MMGNWYNXBIJJPJ-HPINSHIESA-N. The full InChI is InChI=1S/C17H17FO3/c18-13-3-1-11(2-4-13)17(8-14(19)20)12-6-9-5-10(7-12)16(21)15(9)17/h1-4,9-10,12,15H,5-8H2,(H,19,20)/t9?,10?,12?,15?,17-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid has a molecular weight of 288.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid is sourced from PubChem (CID 148509738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).