(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid

C13H14BrFO2 — CID 125466606

IUPAC(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
SMILESO=C(O)[C@H](c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C13H14BrFO2/c14-9-5-6-10(11(15)7-9)12(13(16)17)8-3-1-2-4-8/h5-8,12H,1-4H2,(H,16,17)/t12-/m0/s1
InChIKeyGHQYFGQVCVYQBU-LBPRGKRZSA-N
MW301.15 g/mol
LogP3.95
Rot. Bonds3

About (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid

(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid (PubChem CID 125466606) has the molecular formula C13H14BrFO2 and a molecular weight of 301.15 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
PubChem CID125466606
Molecular FormulaC13H14BrFO2
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
SMILESO=C(O)[C@H](c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C13H14BrFO2/c14-9-5-6-10(11(15)7-9)12(13(16)17)8-3-1-2-4-8/h5-8,12H,1-4H2,(H,16,17)/t12-/m0/s1
InChIKeyGHQYFGQVCVYQBU-LBPRGKRZSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic 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

(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
CID 175669167
2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
CID 175668562
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 54894373
2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
CID 54894057
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid
CID 125466620
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
1-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 82974099
2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
CID 175669148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid?
The IUPAC name of (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid (CID 125466606) is (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid.
What is the SMILES notation for (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid?
The canonical SMILES for (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid is O=C(O)[C@H](c1ccc(Br)cc1F)C1CCCC1.
What is the InChIKey of (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid?
The InChIKey is GHQYFGQVCVYQBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14BrFO2/c14-9-5-6-10(11(15)7-9)12(13(16)17)8-3-1-2-4-8/h5-8,12H,1-4H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid?
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid has a molecular weight of 301.15 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid is sourced from PubChem (CID 125466606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).