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

C9H8ClFO3 — CID 16778332

IUPAC3-(2-chloro-4-fluorophenoxy)propanoic acid
SMILESO=C(O)CCOc1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO3/c10-7-5-6(11)1-2-8(7)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeyXNBUXUDYENDIRW-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.33
Rot. Bonds4

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

3-(2-chloro-4-fluorophenoxy)propanoic acid (PubChem CID 16778332) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)propanoic acid
PubChem CID16778332
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name3-(2-chloro-4-fluorophenoxy)propanoic acid
SMILESO=C(O)CCOc1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO3/c10-7-5-6(11)1-2-8(7)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKeyXNBUXUDYENDIRW-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-(4-fluoro-2-formylphenoxy)propanoic acid
CID 107697641
3-(2-chloro-4-fluorophenoxy)-1-[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]propan-1-one
CID 166254986
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
2-(2-chloro-4-fluorophenoxy)ethyl N-methylcarbamate
CID 146277256
(E)-4-(2-chloro-4-fluorophenoxy)but-2-enoic acid
CID 62342499
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55772708
4-[4-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247252
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)propanoic acid?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)propanoic acid (CID 16778332) is 3-(2-chloro-4-fluorophenoxy)propanoic acid.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)propanoic acid?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)propanoic acid is O=C(O)CCOc1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)propanoic acid?
The InChIKey is XNBUXUDYENDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c10-7-5-6(11)1-2-8(7)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)propanoic acid?
3-(2-chloro-4-fluorophenoxy)propanoic acid has a molecular weight of 218.61 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)propanoic acid is sourced from PubChem (CID 16778332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).