2-(3,5-dibromo-2,4-difluorophenyl)acetic acid

C8H4Br2F2O2 — CID 121227978

IUPAC2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(F)c(Br)c1F
InChIInChI=1S/C8H4Br2F2O2/c9-4-1-3(2-5(13)14)7(11)6(10)8(4)12/h1H,2H2,(H,13,14)
InChIKeyICHYLKMIRCNHQW-UHFFFAOYSA-N
MW329.92 g/mol
LogP3.12
Rot. Bonds2

About 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid

2-(3,5-dibromo-2,4-difluorophenyl)acetic acid (PubChem CID 121227978) has the molecular formula C8H4Br2F2O2 and a molecular weight of 329.92 g/mol. Its IUPAC name is 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
PubChem CID121227978
Molecular FormulaC8H4Br2F2O2
Molecular Weight329.92 g/mol
Exact Mass327.85
IUPAC Name2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(F)c(Br)c1F
InChIInChI=1S/C8H4Br2F2O2/c9-4-1-3(2-5(13)14)7(11)6(10)8(4)12/h1H,2H2,(H,13,14)
InChIKeyICHYLKMIRCNHQW-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.92
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid
CID 84807500
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
2-(4-bromo-2,3,5,6-tetrafluorophenyl)acetic acid
CID 4562803
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
2-(2,4,5-tribromophenyl)acetic acid
CID 119010967
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
CID 83402830
2-(3-bromo-2-fluoro-4-iodophenyl)acetic acid
CID 171001427
1-(3-bromo-2,4,5-trifluorophenyl)propan-2-one
CID 117115023
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid?
The IUPAC name of 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid (CID 121227978) is 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid is O=C(O)Cc1cc(Br)c(F)c(Br)c1F.
What is the InChIKey of 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid?
The InChIKey is ICHYLKMIRCNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2O2/c9-4-1-3(2-5(13)14)7(11)6(10)8(4)12/h1H,2H2,(H,13,14).
What are the key properties of 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid?
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid has a molecular weight of 329.92 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2,4-difluorophenyl)acetic acid is sourced from PubChem (CID 121227978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).