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

C8H5Cl2FO2 — CID 53405228

IUPAC2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)C(Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C8H5Cl2FO2/c9-4-1-2-6(11)5(3-4)7(10)8(12)13/h1-3,7H,(H,12,13)
InChIKeyXKYMIOFUABDXKI-UHFFFAOYSA-N
MW223.03 g/mol
LogP2.84
Rot. Bonds2

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

2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid (PubChem CID 53405228) has the molecular formula C8H5Cl2FO2 and a molecular weight of 223.03 g/mol. Its IUPAC name is 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid
PubChem CID53405228
Molecular FormulaC8H5Cl2FO2
Molecular Weight223.03 g/mol
Exact Mass221.97
IUPAC Name2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid
SMILESO=C(O)C(Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C8H5Cl2FO2/c9-4-1-2-6(11)5(3-4)7(10)8(12)13/h1-3,7H,(H,12,13)
InChIKeyXKYMIOFUABDXKI-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.03
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
2-(5-chloro-2-fluorophenyl)butanedioic acid
CID 165450975
2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
CID 114843777
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656015
2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
CID 62226242
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid
CID 114843787
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid?
The IUPAC name of 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid (CID 53405228) is 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid is O=C(O)C(Cl)c1cc(Cl)ccc1F.
What is the InChIKey of 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid?
The InChIKey is XKYMIOFUABDXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO2/c9-4-1-2-6(11)5(3-4)7(10)8(12)13/h1-3,7H,(H,12,13).
What are the key properties of 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid?
2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid has a molecular weight of 223.03 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid is sourced from PubChem (CID 53405228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).