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

C8H5BrClFO2 — CID 83402830

IUPAC2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C8H5BrClFO2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13)
InChIKeySLLPNBWNXSOENV-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.87
Rot. Bonds2

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

2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid (PubChem CID 83402830) has the molecular formula C8H5BrClFO2 and a molecular weight of 267.48 g/mol. Its IUPAC name is 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
PubChem CID83402830
Molecular FormulaC8H5BrClFO2
Molecular Weight267.48 g/mol
Exact Mass265.91
IUPAC Name2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc(Cl)c1F
InChIInChI=1S/C8H5BrClFO2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13)
InChIKeySLLPNBWNXSOENV-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

2-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
2-[5-(bromomethyl)-3-chloro-2-fluorophenyl]acetic acid
CID 171019054
2-(5-bromo-3-chloro-2-nitrophenyl)acetic acid
CID 131537690
2-(5-bromo-2-fluoro-3-nitrophenyl)acetic acid
CID 131613589
2-(2-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 68614790
3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 142920745
3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 84714681
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
5-bromo-1,2,3-trichlorobenzene;1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone
CID 160613333
2-(2-bromo-6-chloro-4-fluorophenyl)acetic acid
CID 131624257

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid?
The IUPAC name of 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid (CID 83402830) is 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid is O=C(O)Cc1cc(Br)cc(Cl)c1F.
What is the InChIKey of 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid?
The InChIKey is SLLPNBWNXSOENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13).
What are the key properties of 2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid?
2-(5-bromo-3-chloro-2-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-(5-bromo-3-chloro-2-fluorophenyl)acetic acid is sourced from PubChem (CID 83402830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).