2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid

C8H4BrCl2FO3 — CID 165346728

IUPAC2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid
SMILESO=C(O)COc1cc(Cl)c(F)c(Cl)c1Br
InChIInChI=1S/C8H4BrCl2FO3/c9-6-4(15-2-5(13)14)1-3(10)8(12)7(6)11/h1H,2H2,(H,13,14)
InChIKeyWDGKLROKYAZDBF-UHFFFAOYSA-N
MW317.93 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid

2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid (PubChem CID 165346728) has the molecular formula C8H4BrCl2FO3 and a molecular weight of 317.93 g/mol. Its IUPAC name is 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid
PubChem CID165346728
Molecular FormulaC8H4BrCl2FO3
Molecular Weight317.93 g/mol
Exact Mass315.87
IUPAC Name2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid
SMILESO=C(O)COc1cc(Cl)c(F)c(Cl)c1Br
InChIInChI=1S/C8H4BrCl2FO3/c9-6-4(15-2-5(13)14)1-3(10)8(12)7(6)11/h1H,2H2,(H,13,14)
InChIKeyWDGKLROKYAZDBF-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.93
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
CID 163279434
2-(5-carbamoyl-2-chloro-4-fluorophenoxy)acetic acid
CID 139634524
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
CID 83402830
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
CID 97179048
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid?
The IUPAC name of 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid (CID 165346728) is 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid is O=C(O)COc1cc(Cl)c(F)c(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid?
The InChIKey is WDGKLROKYAZDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2FO3/c9-6-4(15-2-5(13)14)1-3(10)8(12)7(6)11/h1H,2H2,(H,13,14).
What are the key properties of 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid?
2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid has a molecular weight of 317.93 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid is sourced from PubChem (CID 165346728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).