2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid

C8H5Cl2FO3 — CID 18317841

IUPAC2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid
SMILESO=C(O)C(Cl)Oc1ccc(F)cc1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-5-3-4(11)1-2-6(5)14-7(10)8(12)13/h1-3,7H,(H,12,13)
InChIKeyISXYLECCROAZOA-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid

2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid (PubChem CID 18317841) has the molecular formula C8H5Cl2FO3 and a molecular weight of 239.03 g/mol. Its IUPAC name is 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid
PubChem CID18317841
Molecular FormulaC8H5Cl2FO3
Molecular Weight239.03 g/mol
Exact Mass237.96
IUPAC Name2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid
SMILESO=C(O)C(Cl)Oc1ccc(F)cc1Cl
InChIInChI=1S/C8H5Cl2FO3/c9-5-3-4(11)1-2-6(5)14-7(10)8(12)13/h1-3,7H,(H,12,13)
InChIKeyISXYLECCROAZOA-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372200
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 60624535
(2-chloro-4-fluorophenyl) butanoate
CID 151885359
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
2-[2-(2-chloro-4-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199599
(E)-2-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hex-4-enoic acid
CID 120693276
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]propanoic acid
CID 55097258
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
4-[(1S)-1-(2-chloro-4-fluorophenoxy)-2,2,2-trifluoroethyl]piperidine-1-carboxylic acid
CID 139510276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid?
The IUPAC name of 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid (CID 18317841) is 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid?
The canonical SMILES for 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid is O=C(O)C(Cl)Oc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid?
The InChIKey is ISXYLECCROAZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO3/c9-5-3-4(11)1-2-6(5)14-7(10)8(12)13/h1-3,7H,(H,12,13).
What are the key properties of 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid?
2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid has a molecular weight of 239.03 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid is sourced from PubChem (CID 18317841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).