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

C8H5BrClFO2 — CID 83902718

IUPAC2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C8H5BrClFO2/c9-5-1-4(3-7(12)13)2-6(11)8(5)10/h1-2H,3H2,(H,12,13)
InChIKeyUJCAEOTXRDAFIR-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.87
Rot. Bonds2

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

2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid (PubChem CID 83902718) has the molecular formula C8H5BrClFO2 and a molecular weight of 267.48 g/mol. Its IUPAC name is 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
PubChem CID83902718
Molecular FormulaC8H5BrClFO2
Molecular Weight267.48 g/mol
Exact Mass265.91
IUPAC Name2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C8H5BrClFO2/c9-5-1-4(3-7(12)13)2-6(11)8(5)10/h1-2H,3H2,(H,12,13)
InChIKeyUJCAEOTXRDAFIR-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-bromo-4-chlorophenyl)acetic acid
CID 131299171
2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
CID 163279434
2-(4-chloro-3-cyano-5-fluorophenyl)acetic acid
CID 118816538
2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 68614790
2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978
2-(3-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517658
2-[3-bromo-5-(bromomethyl)-4-hydroxyphenyl]acetic acid
CID 166841013
O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 117389552
2-[3-(bromomethyl)-4-fluorophenyl]acetic acid
CID 99769915
1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448563
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337
2-[5-(bromomethyl)-3-chloro-2-fluorophenyl]acetic acid
CID 171019054

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid?
The IUPAC name of 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid (CID 83902718) is 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid is O=C(O)Cc1cc(F)c(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid?
The InChIKey is UJCAEOTXRDAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO2/c9-5-1-4(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-fluorophenyl)acetic acid?
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid has a molecular weight of 267.48 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid is sourced from PubChem (CID 83902718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).