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

C8H8FNO2 — CID 23125597

IUPAC2-(3-amino-4-fluorophenyl)acetic acid
SMILESNc1cc(CC(=O)O)ccc1F
InChIInChI=1S/C8H8FNO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeyABEPRZFKMRYSOE-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.03
Rot. Bonds2

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

2-(3-amino-4-fluorophenyl)acetic acid (PubChem CID 23125597) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-(3-amino-4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4-fluorophenyl)acetic acid
PubChem CID23125597
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-(3-amino-4-fluorophenyl)acetic acid
SMILESNc1cc(CC(=O)O)ccc1F
InChIInChI=1S/C8H8FNO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeyABEPRZFKMRYSOE-UHFFFAOYSA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.03
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-4-fluorophenyl)acetic acid?
The IUPAC name of 2-(3-amino-4-fluorophenyl)acetic acid (CID 23125597) is 2-(3-amino-4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3-amino-4-fluorophenyl)acetic acid is Nc1cc(CC(=O)O)ccc1F.
What is the InChIKey of 2-(3-amino-4-fluorophenyl)acetic acid?
The InChIKey is ABEPRZFKMRYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4,10H2,(H,11,12).
What are the key properties of 2-(3-amino-4-fluorophenyl)acetic acid?
2-(3-amino-4-fluorophenyl)acetic acid has a molecular weight of 169.16 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-fluorophenyl)acetic acid is sourced from PubChem (CID 23125597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).