2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid

C9H8ClFO3 — CID 114868069

IUPAC2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO3/c1-14-8(9(12)13)6-4-5(10)2-3-7(6)11/h2-4,8H,1H3,(H,12,13)
InChIKeyWBGVRLSTNVFKBS-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.25
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid

2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid (PubChem CID 114868069) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
PubChem CID114868069
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFO3/c1-14-8(9(12)13)6-4-5(10)2-3-7(6)11/h2-4,8H,1H3,(H,12,13)
InChIKeyWBGVRLSTNVFKBS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid
CID 53405228
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one
CID 83224628
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921
2-(5-chloro-2-fluorophenyl)butanedioic acid
CID 165450975
2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
CID 114843777
2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid
CID 83223794
methyl 2-[(5-chloro-2-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 114859951
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
1-(5-chloro-2-fluorophenyl)-3-methoxybutan-2-one
CID 103048080

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid (CID 114868069) is 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid is COC(C(=O)O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid?
The InChIKey is WBGVRLSTNVFKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-14-8(9(12)13)6-4-5(10)2-3-7(6)11/h2-4,8H,1H3,(H,12,13).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid?
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid has a molecular weight of 218.61 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid is sourced from PubChem (CID 114868069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).