4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid

C11H11BrClFO2 — CID 105398437

IUPAC4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid
SMILESCC(CCC(=O)O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H11BrClFO2/c1-6(2-3-11(15)16)7-4-9(13)8(12)5-10(7)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyBTJLYIIJZGOIKS-UHFFFAOYSA-N
MW309.56 g/mol
LogP4.21
Rot. Bonds4

About 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid

4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid (PubChem CID 105398437) has the molecular formula C11H11BrClFO2 and a molecular weight of 309.56 g/mol. Its IUPAC name is 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid
PubChem CID105398437
Molecular FormulaC11H11BrClFO2
Molecular Weight309.56 g/mol
Exact Mass307.96
IUPAC Name4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid
SMILESCC(CCC(=O)O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H11BrClFO2/c1-6(2-3-11(15)16)7-4-9(13)8(12)5-10(7)14/h4-6H,2-3H2,1H3,(H,15,16)
InChIKeyBTJLYIIJZGOIKS-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394271
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methylpentan-1-ol
CID 105399458
4-(4-bromo-5-chloro-2-fluorophenyl)butanoic acid
CID 105399208
4-amino-4-(2,5-dichloro-4-fluorophenyl)butanoic acid
CID 117419042
3-(4-chloro-2,5-difluorophenyl)butanoic acid
CID 84797156
1-bromo-2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 105399635
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 105399247
1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene
CID 105400041
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
3-(2-bromo-5-chloro-4-fluorophenyl)propanoic acid
CID 156859397
1-(4-bromo-5-chloro-2-fluorophenyl)-2-chloropropan-1-one
CID 105398210

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid?
The IUPAC name of 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid (CID 105398437) is 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid.
What is the SMILES notation for 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid?
The canonical SMILES for 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid is CC(CCC(=O)O)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid?
The InChIKey is BTJLYIIJZGOIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO2/c1-6(2-3-11(15)16)7-4-9(13)8(12)5-10(7)14/h4-6H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid?
4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid has a molecular weight of 309.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid is sourced from PubChem (CID 105398437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).