2-(2-fluoroanilino)acetic acid

C8H8FNO2 — CID 5171030

IUPAC2-(2-fluoroanilino)acetic acid
SMILESO=C(O)CNc1ccccc1F
InChIInChI=1S/C8H8FNO2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyVCJRLZZBUWJOGG-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.32
Rot. Bonds3

About 2-(2-fluoroanilino)acetic acid

2-(2-fluoroanilino)acetic acid (PubChem CID 5171030) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-(2-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(2-fluoroanilino)acetic acid
PubChem CID5171030
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-(2-fluoroanilino)acetic acid
SMILESO=C(O)CNc1ccccc1F
InChIInChI=1S/C8H8FNO2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyVCJRLZZBUWJOGG-UHFFFAOYSA-N
XLogP1.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)acetic acid?
The IUPAC name of 2-(2-fluoroanilino)acetic acid (CID 5171030) is 2-(2-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(2-fluoroanilino)acetic acid?
The canonical SMILES for 2-(2-fluoroanilino)acetic acid is O=C(O)CNc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)acetic acid?
The InChIKey is VCJRLZZBUWJOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12).
What are the key properties of 2-(2-fluoroanilino)acetic acid?
2-(2-fluoroanilino)acetic acid has a molecular weight of 169.16 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)acetic acid is sourced from PubChem (CID 5171030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).