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

C8H5BrClFO2 — CID 68614790

IUPAC2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c(F)cc1Br
InChIInChI=1S/C8H5BrClFO2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKeyMBWJXPMFSYYQBM-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.87
Rot. Bonds2

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

2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid (PubChem CID 68614790) has the molecular formula C8H5BrClFO2 and a molecular weight of 267.48 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
PubChem CID68614790
Molecular FormulaC8H5BrClFO2
Molecular Weight267.48 g/mol
Exact Mass265.91
IUPAC Name2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c(F)cc1Br
InChIInChI=1S/C8H5BrClFO2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKeyMBWJXPMFSYYQBM-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_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-5-chloro-4-fluorophenyl)propanoic acid
CID 156859397
3-(2-bromo-5-chloro-4-fluorophenyl)propanoyl chloride
CID 156859298
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
CID 19763734
4-(4-bromo-5-chloro-2-fluorophenyl)butanoic acid
CID 105399208
2-(2,4,5-tribromophenyl)acetic acid
CID 119010967
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
3-(2,5-dichloro-4-fluorophenyl)propanoic acid
CID 84699843
2-(2-bromo-6-chloro-4-fluorophenyl)acetic acid
CID 131624257
2-(bromomethyl)-4-chloro-5-fluorobenzoic acid
CID 171019929
2-[2-bromo-5-fluoro-4-(trifluoromethyl)phenyl]acetic acid
CID 146676121
1-bromo-4-chloro-2-(cyclopropylmethyl)-5-fluorobenzene
CID 165123105

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid?
The IUPAC name of 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid (CID 68614790) is 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid is O=C(O)Cc1cc(Cl)c(F)cc1Br.
What is the InChIKey of 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid?
The InChIKey is MBWJXPMFSYYQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13).
What are the key properties of 2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid?
2-(2-bromo-5-chloro-4-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-(2-bromo-5-chloro-4-fluorophenyl)acetic acid is sourced from PubChem (CID 68614790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).