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

C16H19FO2 — CID 118370547

IUPAC2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCCC1CC2
InChIInChI=1S/C16H19FO2/c17-14-8-6-13(7-9-14)16(10-15(18)19)11-2-1-3-12(16)5-4-11/h6-9,11-12H,1-5,10H2,(H,18,19)
InChIKeyMWUYHPKVUTUSLQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.75
Rot. Bonds3

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

2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid (PubChem CID 118370547) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid.

Molecular Properties

Compound Name2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid
PubChem CID118370547
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCCC1CC2
InChIInChI=1S/C16H19FO2/c17-14-8-6-13(7-9-14)16(10-15(18)19)11-2-1-3-12(16)5-4-11/h6-9,11-12H,1-5,10H2,(H,18,19)
InChIKeyMWUYHPKVUTUSLQ-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-[8-(4-fluorophenyl)-8-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

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid?
The IUPAC name of 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid (CID 118370547) is 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid.
What is the SMILES notation for 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid?
The canonical SMILES for 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CCCC1CC2.
What is the InChIKey of 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid?
The InChIKey is MWUYHPKVUTUSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c17-14-8-6-13(7-9-14)16(10-15(18)19)11-2-1-3-12(16)5-4-11/h6-9,11-12H,1-5,10H2,(H,18,19).
What are the key properties of 2-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid?
2-[8-(4-fluorophenyl)-8-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-[8-(4-fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid is sourced from PubChem (CID 118370547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).