2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid

C4H4FN3O2 — CID 131123361

IUPAC2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid
SMILESO=C(O)C(F)c1ncn[nH]1
InChIInChI=1S/C4H4FN3O2/c5-2(4(9)10)3-6-1-7-8-3/h1-2H,(H,9,10)(H,6,7,8)
InChIKeyRZSOOMAYFQJHMH-UHFFFAOYSA-N
MW145.09 g/mol
LogP-0.10
Rot. Bonds2

About 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid

2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid (PubChem CID 131123361) has the molecular formula C4H4FN3O2 and a molecular weight of 145.09 g/mol. Its IUPAC name is 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid
PubChem CID131123361
Molecular FormulaC4H4FN3O2
Molecular Weight145.09 g/mol
Exact Mass145.03
IUPAC Name2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid
SMILESO=C(O)C(F)c1ncn[nH]1
InChIInChI=1S/C4H4FN3O2/c5-2(4(9)10)3-6-1-7-8-3/h1-2H,(H,9,10)(H,6,7,8)
InChIKeyRZSOOMAYFQJHMH-UHFFFAOYSA-N
XLogP-0.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid (CID 131123361) is 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid is O=C(O)C(F)c1ncn[nH]1.
What is the InChIKey of 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid?
The InChIKey is RZSOOMAYFQJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O2/c5-2(4(9)10)3-6-1-7-8-3/h1-2H,(H,9,10)(H,6,7,8).
What are the key properties of 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid?
2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid has a molecular weight of 145.09 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1H-1,2,4-triazol-5-yl)acetic acid is sourced from PubChem (CID 131123361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).