3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid

C14H16BrFO2 — CID 112569192

IUPAC3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1Br)C1CCCC1
InChIInChI=1S/C14H16BrFO2/c15-13-8-11(16)6-5-10(13)7-12(14(17)18)9-3-1-2-4-9/h5-6,8-9,12H,1-4,7H2,(H,17,18)
InChIKeyLZJSXBMNZYNEBE-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.02
Rot. Bonds4

About 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid

3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid (PubChem CID 112569192) has the molecular formula C14H16BrFO2 and a molecular weight of 315.18 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid
PubChem CID112569192
Molecular FormulaC14H16BrFO2
Molecular Weight315.18 g/mol
Exact Mass314.03
IUPAC Name3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1Br)C1CCCC1
InChIInChI=1S/C14H16BrFO2/c15-13-8-11(16)6-5-10(13)7-12(14(17)18)9-3-1-2-4-9/h5-6,8-9,12H,1-4,7H2,(H,17,18)
InChIKeyLZJSXBMNZYNEBE-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
3-(4-bromo-2-nitrophenyl)-2-cyclopentylpropanoic acid
CID 114382169
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
3-(2-bromophenyl)-2-(oxan-4-yl)propanoic acid
CID 79418749
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
2-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propanoic acid
CID 114346556
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423303
3-(2-bromophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418747
3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid
CID 79418826

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid (CID 112569192) is 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid is O=C(O)C(Cc1ccc(F)cc1Br)C1CCCC1.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid?
The InChIKey is LZJSXBMNZYNEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO2/c15-13-8-11(16)6-5-10(13)7-12(14(17)18)9-3-1-2-4-9/h5-6,8-9,12H,1-4,7H2,(H,17,18).
What are the key properties of 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid?
3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid has a molecular weight of 315.18 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid is sourced from PubChem (CID 112569192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).