2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid

C9H8ClFO2 — CID 2773689

IUPAC2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
SMILESCc1ccc(Cl)c(CC(=O)O)c1F
InChIInChI=1S/C9H8ClFO2/c1-5-2-3-7(10)6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyWVPCYTGXJQYSCV-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.41
Rot. Bonds2

About 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid

2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid (PubChem CID 2773689) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
PubChem CID2773689
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
SMILESCc1ccc(Cl)c(CC(=O)O)c1F
InChIInChI=1S/C9H8ClFO2/c1-5-2-3-7(10)6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKeyWVPCYTGXJQYSCV-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid?
The IUPAC name of 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid (CID 2773689) is 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid is Cc1ccc(Cl)c(CC(=O)O)c1F.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid?
The InChIKey is WVPCYTGXJQYSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-5-2-3-7(10)6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid?
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid has a molecular weight of 202.61 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid is sourced from PubChem (CID 2773689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).