2-(3-amino-2-chloro-4-fluorophenyl)acetic acid

C8H7ClFNO2 — CID 171033959

IUPAC2-(3-amino-2-chloro-4-fluorophenyl)acetic acid
SMILESNc1c(F)ccc(CC(=O)O)c1Cl
InChIInChI=1S/C8H7ClFNO2/c9-7-4(3-6(12)13)1-2-5(10)8(7)11/h1-2H,3,11H2,(H,12,13)
InChIKeyHAXKVWXSZVCJBA-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.69
Rot. Bonds2

About 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid

2-(3-amino-2-chloro-4-fluorophenyl)acetic acid (PubChem CID 171033959) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-2-chloro-4-fluorophenyl)acetic acid
PubChem CID171033959
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name2-(3-amino-2-chloro-4-fluorophenyl)acetic acid
SMILESNc1c(F)ccc(CC(=O)O)c1Cl
InChIInChI=1S/C8H7ClFNO2/c9-7-4(3-6(12)13)1-2-5(10)8(7)11/h1-2H,3,11H2,(H,12,13)
InChIKeyHAXKVWXSZVCJBA-UHFFFAOYSA-N
XLogP1.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid?
The IUPAC name of 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid (CID 171033959) is 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid is Nc1c(F)ccc(CC(=O)O)c1Cl.
What is the InChIKey of 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid?
The InChIKey is HAXKVWXSZVCJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c9-7-4(3-6(12)13)1-2-5(10)8(7)11/h1-2H,3,11H2,(H,12,13).
What are the key properties of 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid?
2-(3-amino-2-chloro-4-fluorophenyl)acetic acid has a molecular weight of 203.60 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-chloro-4-fluorophenyl)acetic acid is sourced from PubChem (CID 171033959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).