2-(2-chloro-5-fluorophenoxy)propanoic acid

C9H8ClFO3 — CID 126975852

IUPAC2-(2-chloro-5-fluorophenoxy)propanoic acid
SMILESCC(Oc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C9H8ClFO3/c1-5(9(12)13)14-8-4-6(11)2-3-7(8)10/h2-5H,1H3,(H,12,13)
InChIKeyHNRGROPQDLIYHV-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.33
Rot. Bonds3

About 2-(2-chloro-5-fluorophenoxy)propanoic acid

2-(2-chloro-5-fluorophenoxy)propanoic acid (PubChem CID 126975852) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenoxy)propanoic acid
PubChem CID126975852
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-(2-chloro-5-fluorophenoxy)propanoic acid
SMILESCC(Oc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C9H8ClFO3/c1-5(9(12)13)14-8-4-6(11)2-3-7(8)10/h2-5H,1H3,(H,12,13)
InChIKeyHNRGROPQDLIYHV-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid
CID 114264196
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
CID 138687037
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
(2S)-2-[2-(2-chloro-4-methylsulfonylanilino)-4-fluorophenoxy]propanoic acid
CID 58775662

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenoxy)propanoic acid?
The IUPAC name of 2-(2-chloro-5-fluorophenoxy)propanoic acid (CID 126975852) is 2-(2-chloro-5-fluorophenoxy)propanoic acid.
What is the SMILES notation for 2-(2-chloro-5-fluorophenoxy)propanoic acid?
The canonical SMILES for 2-(2-chloro-5-fluorophenoxy)propanoic acid is CC(Oc1cc(F)ccc1Cl)C(=O)O.
What is the InChIKey of 2-(2-chloro-5-fluorophenoxy)propanoic acid?
The InChIKey is HNRGROPQDLIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-5(9(12)13)14-8-4-6(11)2-3-7(8)10/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-5-fluorophenoxy)propanoic acid?
2-(2-chloro-5-fluorophenoxy)propanoic acid has a molecular weight of 218.61 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenoxy)propanoic acid is sourced from PubChem (CID 126975852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).