2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid

C8H8FNO3 — CID 90191652

IUPAC2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(F)c1NO
InChIInChI=1S/C8H8FNO3/c9-6-3-1-2-5(4-7(11)12)8(6)10-13/h1-3,10,13H,4H2,(H,11,12)
InChIKeyHZYZLFYWPBQZGY-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.25
Rot. Bonds3

About 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid

2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid (PubChem CID 90191652) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid
PubChem CID90191652
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(F)c1NO
InChIInChI=1S/C8H8FNO3/c9-6-3-1-2-5(4-7(11)12)8(6)10-13/h1-3,10,13H,4H2,(H,11,12)
InChIKeyHZYZLFYWPBQZGY-UHFFFAOYSA-N
XLogP1.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid (CID 90191652) is 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid is O=C(O)Cc1cccc(F)c1NO.
What is the InChIKey of 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid?
The InChIKey is HZYZLFYWPBQZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-6-3-1-2-5(4-7(11)12)8(6)10-13/h1-3,10,13H,4H2,(H,11,12).
What are the key properties of 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid?
2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid has a molecular weight of 185.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(hydroxyamino)phenyl]acetic acid is sourced from PubChem (CID 90191652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).