2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid

C8H5BrClFO3 — CID 163279434

IUPAC2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
SMILESO=C(O)COc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C8H5BrClFO3/c9-5-1-4(14-3-7(12)13)2-6(11)8(5)10/h1-2H,3H2,(H,12,13)
InChIKeyXMBKSMZFPVIBDJ-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.70
Rot. Bonds3

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

2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid (PubChem CID 163279434) has the molecular formula C8H5BrClFO3 and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
PubChem CID163279434
Molecular FormulaC8H5BrClFO3
Molecular Weight283.48 g/mol
Exact Mass281.91
IUPAC Name2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
SMILESO=C(O)COc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C8H5BrClFO3/c9-5-1-4(14-3-7(12)13)2-6(11)8(5)10/h1-2H,3H2,(H,12,13)
InChIKeyXMBKSMZFPVIBDJ-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(2-bromo-3,5-dichloro-4-fluorophenoxy)acetic acid
CID 165346728
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[3,5-dichloro-4-[[3-(4-chloro-3,5-difluorophenyl)phenyl]methyl]phenoxy]acetic acid
CID 169189105
2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxy]acetic acid
CID 121210349
2-[4-(4-aminophenoxy)-3,5-dibromophenoxy]acetic acid
CID 68839222
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid?
The IUPAC name of 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid (CID 163279434) is 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid is O=C(O)COc1cc(F)c(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid?
The InChIKey is XMBKSMZFPVIBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO3/c9-5-1-4(14-3-7(12)13)2-6(11)8(5)10/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid?
2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid has a molecular weight of 283.48 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid is sourced from PubChem (CID 163279434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).