2-(3-chloro-4-fluorophenyl)propanoic acid

C9H8ClFO2 — CID 79803120

IUPAC2-(3-chloro-4-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,12,13)
InChIKeyWQCTVPRDXUKRPI-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.67
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)propanoic acid

2-(3-chloro-4-fluorophenyl)propanoic acid (PubChem CID 79803120) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)propanoic acid
PubChem CID79803120
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-(3-chloro-4-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,12,13)
InChIKeyWQCTVPRDXUKRPI-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)propanoic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)propanoic acid (CID 79803120) is 2-(3-chloro-4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)propanoic acid is CC(C(=O)O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)propanoic acid?
The InChIKey is WQCTVPRDXUKRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-5(9(12)13)6-2-3-8(11)7(10)4-6/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(3-chloro-4-fluorophenyl)propanoic acid?
2-(3-chloro-4-fluorophenyl)propanoic acid has a molecular weight of 202.61 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)propanoic acid is sourced from PubChem (CID 79803120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).