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

C14H11F2NO2 — CID 89227472

IUPAC2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid
SMILESNc1ccc(C(C(=O)O)c2cccc(F)c2)cc1F
InChIInChI=1S/C14H11F2NO2/c15-10-3-1-2-8(6-10)13(14(18)19)9-4-5-12(17)11(16)7-9/h1-7,13H,17H2,(H,18,19)
InChIKeyFPKOAOHTHQJROH-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.76
Rot. Bonds3

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

2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid (PubChem CID 89227472) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid
PubChem CID89227472
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid
SMILESNc1ccc(C(C(=O)O)c2cccc(F)c2)cc1F
InChIInChI=1S/C14H11F2NO2/c15-10-3-1-2-8(6-10)13(14(18)19)9-4-5-12(17)11(16)7-9/h1-7,13H,17H2,(H,18,19)
InChIKeyFPKOAOHTHQJROH-UHFFFAOYSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.76
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-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid?
The IUPAC name of 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid (CID 89227472) is 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid is Nc1ccc(C(C(=O)O)c2cccc(F)c2)cc1F.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid?
The InChIKey is FPKOAOHTHQJROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-3-1-2-8(6-10)13(14(18)19)9-4-5-12(17)11(16)7-9/h1-7,13H,17H2,(H,18,19).
What are the key properties of 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid?
2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid has a molecular weight of 263.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)-2-(3-fluorophenyl)acetic acid is sourced from PubChem (CID 89227472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).