2-(4-amino-2,5-difluorophenyl)acetic acid

C8H7F2NO2 — CID 67515913

IUPAC2-(4-amino-2,5-difluorophenyl)acetic acid
SMILESNc1cc(F)c(CC(=O)O)cc1F
InChIInChI=1S/C8H7F2NO2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2,11H2,(H,12,13)
InChIKeyPKKTVQZVTMKLQW-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.17
Rot. Bonds2

About 2-(4-amino-2,5-difluorophenyl)acetic acid

2-(4-amino-2,5-difluorophenyl)acetic acid (PubChem CID 67515913) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenyl)acetic acid
PubChem CID67515913
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name2-(4-amino-2,5-difluorophenyl)acetic acid
SMILESNc1cc(F)c(CC(=O)O)cc1F
InChIInChI=1S/C8H7F2NO2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2,11H2,(H,12,13)
InChIKeyPKKTVQZVTMKLQW-UHFFFAOYSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.17
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-2,5-difluorophenyl)acetic acid?
The IUPAC name of 2-(4-amino-2,5-difluorophenyl)acetic acid (CID 67515913) is 2-(4-amino-2,5-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenyl)acetic acid?
The canonical SMILES for 2-(4-amino-2,5-difluorophenyl)acetic acid is Nc1cc(F)c(CC(=O)O)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenyl)acetic acid?
The InChIKey is PKKTVQZVTMKLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2,11H2,(H,12,13).
What are the key properties of 2-(4-amino-2,5-difluorophenyl)acetic acid?
2-(4-amino-2,5-difluorophenyl)acetic acid has a molecular weight of 187.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenyl)acetic acid is sourced from PubChem (CID 67515913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).