2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid

C8H5BrF2O3 — CID 117420924

IUPAC2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Br)c(F)c1F
InChIInChI=1S/C8H5BrF2O3/c9-4-2-1-3(5(10)6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyDKFUXMLNQKFFBD-UHFFFAOYSA-N
MW267.03 g/mol
LogP1.85
Rot. Bonds2

About 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid

2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid (PubChem CID 117420924) has the molecular formula C8H5BrF2O3 and a molecular weight of 267.03 g/mol. Its IUPAC name is 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
PubChem CID117420924
Molecular FormulaC8H5BrF2O3
Molecular Weight267.03 g/mol
Exact Mass265.94
IUPAC Name2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Br)c(F)c1F
InChIInChI=1S/C8H5BrF2O3/c9-4-2-1-3(5(10)6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyDKFUXMLNQKFFBD-UHFFFAOYSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117419189
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
CID 171001373
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834
(2S)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131510376
(2R)-2-(4-bromonaphthalen-1-yl)-2-hydroxyacetic acid
CID 131393166
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
CID 164658455
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid (CID 117420924) is 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Br)c(F)c1F.
What is the InChIKey of 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid?
The InChIKey is DKFUXMLNQKFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O3/c9-4-2-1-3(5(10)6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid?
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid has a molecular weight of 267.03 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117420924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).