2-(2,5-dichloro-3-fluorophenyl)propanoic acid

C9H7Cl2FO2 — CID 117345921

IUPAC2-(2,5-dichloro-3-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C9H7Cl2FO2/c1-4(9(13)14)6-2-5(10)3-7(12)8(6)11/h2-4H,1H3,(H,13,14)
InChIKeyQTLMCNPVJJIMPY-UHFFFAOYSA-N
MW237.06 g/mol
LogP3.32
Rot. Bonds2

About 2-(2,5-dichloro-3-fluorophenyl)propanoic acid

2-(2,5-dichloro-3-fluorophenyl)propanoic acid (PubChem CID 117345921) has the molecular formula C9H7Cl2FO2 and a molecular weight of 237.06 g/mol. Its IUPAC name is 2-(2,5-dichloro-3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-3-fluorophenyl)propanoic acid
PubChem CID117345921
Molecular FormulaC9H7Cl2FO2
Molecular Weight237.06 g/mol
Exact Mass235.98
IUPAC Name2-(2,5-dichloro-3-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C9H7Cl2FO2/c1-4(9(13)14)6-2-5(10)3-7(12)8(6)11/h2-4H,1H3,(H,13,14)
InChIKeyQTLMCNPVJJIMPY-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 53.32
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

(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
2-[2-(bromomethyl)-5-chlorophenyl]propanoic acid
CID 25169539
2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid
CID 53405228
2-(5-chloro-2-methylsulfonylphenyl)propanoic acid
CID 117411443
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280
2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117305876
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-(5-bromo-2,3-difluorophenyl)propanoic acid
CID 84807513

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-3-fluorophenyl)propanoic acid?
The IUPAC name of 2-(2,5-dichloro-3-fluorophenyl)propanoic acid (CID 117345921) is 2-(2,5-dichloro-3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dichloro-3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dichloro-3-fluorophenyl)propanoic acid is CC(C(=O)O)c1cc(Cl)cc(F)c1Cl.
What is the InChIKey of 2-(2,5-dichloro-3-fluorophenyl)propanoic acid?
The InChIKey is QTLMCNPVJJIMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO2/c1-4(9(13)14)6-2-5(10)3-7(12)8(6)11/h2-4H,1H3,(H,13,14).
What are the key properties of 2-(2,5-dichloro-3-fluorophenyl)propanoic acid?
2-(2,5-dichloro-3-fluorophenyl)propanoic acid has a molecular weight of 237.06 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-3-fluorophenyl)propanoic acid is sourced from PubChem (CID 117345921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).