2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid

C10H11ClFNO2 — CID 22349685

IUPAC2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid
SMILESCCNc1ccc(F)c(Cl)c1CC(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-2-13-8-4-3-7(12)10(11)6(8)5-9(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeyGYDFSMQGLIZUDT-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid

2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid (PubChem CID 22349685) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid
PubChem CID22349685
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid
SMILESCCNc1ccc(F)c(Cl)c1CC(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-2-13-8-4-3-7(12)10(11)6(8)5-9(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeyGYDFSMQGLIZUDT-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid?
The IUPAC name of 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid (CID 22349685) is 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid is CCNc1ccc(F)c(Cl)c1CC(=O)O.
What is the InChIKey of 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid?
The InChIKey is GYDFSMQGLIZUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-2-13-8-4-3-7(12)10(11)6(8)5-9(14)15/h3-4,13H,2,5H2,1H3,(H,14,15).
What are the key properties of 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid?
2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid has a molecular weight of 231.65 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(ethylamino)-3-fluorophenyl]acetic acid is sourced from PubChem (CID 22349685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).