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

C17H19FO2 — CID 59336879

IUPAC2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESC=C1CC2CCC(C1)C2(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H19FO2/c1-11-8-13-2-3-14(9-11)17(13,10-16(19)20)12-4-6-15(18)7-5-12/h4-7,13-14H,1-3,8-10H2,(H,19,20)
InChIKeyGVNAKBMXLNBQOM-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.91
Rot. Bonds3

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

2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid (PubChem CID 59336879) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid.

Molecular Properties

Compound Name2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid
PubChem CID59336879
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESC=C1CC2CCC(C1)C2(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H19FO2/c1-11-8-13-2-3-14(9-11)17(13,10-16(19)20)12-4-6-15(18)7-5-12/h4-7,13-14H,1-3,8-10H2,(H,19,20)
InChIKeyGVNAKBMXLNBQOM-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9H-Fluorene-9,9-dipropanoic acid
CID 20477
3-(4-Fluorophenyl)-3-methylbutanoic acid
CID 23293615
3-Phenylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 233466
2-[2-(4-Fluorophenyl)-2-adamantyl]acetic acid
CID 1475852
2-[5-Fluoro-2-(4-fluorophenyl)-2-adamantyl]acetic acid
CID 24944725
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-Phenyl-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332279
3-(4-Fluoro-phenyl)-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332309
2-[1-(4-Fluorophenyl)cyclohexyl]acetic acid
CID 57240144

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid?
The IUPAC name of 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid (CID 59336879) is 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid.
What is the SMILES notation for 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid?
The canonical SMILES for 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid is C=C1CC2CCC(C1)C2(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid?
The InChIKey is GVNAKBMXLNBQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-11-8-13-2-3-14(9-11)17(13,10-16(19)20)12-4-6-15(18)7-5-12/h4-7,13-14H,1-3,8-10H2,(H,19,20).
What are the key properties of 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid?
2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid has a molecular weight of 274.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid is sourced from PubChem (CID 59336879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).