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

C16H19FO2 — CID 24945242

IUPAC2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2CCC(C2)C1
InChIInChI=1S/C16H19FO2/c17-14-5-3-13(4-6-14)16(10-15(18)19)8-11-1-2-12(7-11)9-16/h3-6,11-12H,1-2,7-10H2,(H,18,19)
InChIKeyVVGPNFCVODSBFW-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.75
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid (PubChem CID 24945242) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
PubChem CID24945242
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2CCC(C2)C1
InChIInChI=1S/C16H19FO2/c17-14-5-3-13(4-6-14)16(10-15(18)19)8-11-1-2-12(7-11)9-16/h3-6,11-12H,1-2,7-10H2,(H,18,19)
InChIKeyVVGPNFCVODSBFW-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]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

Benzenepropanoic acid, alpha-(phenylmethyl)-
CID 64800
5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
CID 24371
3-Phenylcyclopentane-1-carboxylic acid
CID 20313173
3-Phenyl-1-adamantanecarboxylic acid
CID 37791
9H-Fluorene-9,9-dipropanoic acid
CID 20477
5H-Dibenzo(A,D)cyclohepten-5-ylacetic acid
CID 3830563
3-(4-Fluorophenyl)butanoic acid
CID 291915
3-(4-Fluorophenyl)-3-methylbutanoic acid
CID 23293615
3-Phenylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 233466
K-80003
CID 46224594
24-Nor-Spiculoic Acid B
CID 46938441
2-[2-(4-Fluorophenyl)-2-adamantyl]acetic acid
CID 1475852

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid (CID 24945242) is 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)CC2CCC(C2)C1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
The InChIKey is VVGPNFCVODSBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c17-14-5-3-13(4-6-14)16(10-15(18)19)8-11-1-2-12(7-11)9-16/h3-6,11-12H,1-2,7-10H2,(H,18,19).
What are the key properties of 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid has a molecular weight of 262.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid is sourced from PubChem (CID 24945242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).