(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid

C12H12BrFO2 — CID 125466620

IUPAC(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid
SMILESO=C(O)[C@@H](c1ccc(Br)c(F)c1)C1CCC1
InChIInChI=1S/C12H12BrFO2/c13-9-5-4-8(6-10(9)14)11(12(15)16)7-2-1-3-7/h4-7,11H,1-3H2,(H,15,16)/t11-/m1/s1
InChIKeyJZBSYWBPLBOEIF-LLVKDONJSA-N
MW287.13 g/mol
LogP3.56
Rot. Bonds3

About (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid

(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid (PubChem CID 125466620) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid
PubChem CID125466620
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid
SMILESO=C(O)[C@@H](c1ccc(Br)c(F)c1)C1CCC1
InChIInChI=1S/C12H12BrFO2/c13-9-5-4-8(6-10(9)14)11(12(15)16)7-2-1-3-7/h4-7,11H,1-3H2,(H,15,16)/t11-/m1/s1
InChIKeyJZBSYWBPLBOEIF-LLVKDONJSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-bromo-3-chlorophenyl)-2-cyclopentylacetic acid
CID 125466613
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
[(4-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340166
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
(1S,2R)-2-amino-2-(4-bromo-3-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261536
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
CID 175669167
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
3-(azepan-1-yl)-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81440678
[1-(4-bromo-3-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310116

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid?
The IUPAC name of (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid (CID 125466620) is (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid.
What is the SMILES notation for (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid?
The canonical SMILES for (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid is O=C(O)[C@@H](c1ccc(Br)c(F)c1)C1CCC1.
What is the InChIKey of (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid?
The InChIKey is JZBSYWBPLBOEIF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12BrFO2/c13-9-5-4-8(6-10(9)14)11(12(15)16)7-2-1-3-7/h4-7,11H,1-3H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid?
(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid has a molecular weight of 287.13 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid is sourced from PubChem (CID 125466620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).