2-(3-chloro-5-fluorophenoxy)acetic acid

C8H6ClFO3 — CID 23273755

IUPAC2-(3-chloro-5-fluorophenoxy)acetic acid
SMILESO=C(O)COc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H6ClFO3/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyUZUNPUFAQCUAJX-UHFFFAOYSA-N
MW204.58 g/mol
LogP1.94
Rot. Bonds3

About 2-(3-chloro-5-fluorophenoxy)acetic acid

2-(3-chloro-5-fluorophenoxy)acetic acid (PubChem CID 23273755) has the molecular formula C8H6ClFO3 and a molecular weight of 204.58 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenoxy)acetic acid
PubChem CID23273755
Molecular FormulaC8H6ClFO3
Molecular Weight204.58 g/mol
Exact Mass204.00
IUPAC Name2-(3-chloro-5-fluorophenoxy)acetic acid
SMILESO=C(O)COc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H6ClFO3/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyUZUNPUFAQCUAJX-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
2-(3-bromo-4-chloro-5-fluorophenoxy)acetic acid
CID 163279434
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethoxy]acetic acid
CID 107363764
2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid
CID 71316857
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride
CID 165499047
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenoxy)acetic acid?
The IUPAC name of 2-(3-chloro-5-fluorophenoxy)acetic acid (CID 23273755) is 2-(3-chloro-5-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(3-chloro-5-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(3-chloro-5-fluorophenoxy)acetic acid is O=C(O)COc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenoxy)acetic acid?
The InChIKey is UZUNPUFAQCUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(3-chloro-5-fluorophenoxy)acetic acid?
2-(3-chloro-5-fluorophenoxy)acetic acid has a molecular weight of 204.58 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenoxy)acetic acid is sourced from PubChem (CID 23273755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).