2-fluoroacetic acid;1H-pyrazole

C5H7FN2O2 — CID 175256168

IUPAC2-fluoroacetic acid;1H-pyrazole
SMILESO=C(O)CF.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H3FO2/c1-2-4-5-3-1;3-1-2(4)5/h1-3H,(H,4,5);1H2,(H,4,5)
InChIKeyZCVYEXWRNITNSJ-UHFFFAOYSA-N
MW146.12 g/mol
LogP0.45
Rot. Bonds1

About 2-fluoroacetic acid;1H-pyrazole

2-fluoroacetic acid;1H-pyrazole (PubChem CID 175256168) has the molecular formula C5H7FN2O2 and a molecular weight of 146.12 g/mol. Its IUPAC name is 2-fluoroacetic acid;1H-pyrazole.

Molecular Properties

Compound Name2-fluoroacetic acid;1H-pyrazole
PubChem CID175256168
Molecular FormulaC5H7FN2O2
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC Name2-fluoroacetic acid;1H-pyrazole
SMILESO=C(O)CF.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H3FO2/c1-2-4-5-3-1;3-1-2(4)5/h1-3H,(H,4,5);1H2,(H,4,5)
InChIKeyZCVYEXWRNITNSJ-UHFFFAOYSA-N
XLogP0.45
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoroacetic acid;1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroacetic acid;1H-pyrazole?
The IUPAC name of 2-fluoroacetic acid;1H-pyrazole (CID 175256168) is 2-fluoroacetic acid;1H-pyrazole.
What is the SMILES notation for 2-fluoroacetic acid;1H-pyrazole?
The canonical SMILES for 2-fluoroacetic acid;1H-pyrazole is O=C(O)CF.c1cn[nH]c1.
What is the InChIKey of 2-fluoroacetic acid;1H-pyrazole?
The InChIKey is ZCVYEXWRNITNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H3FO2/c1-2-4-5-3-1;3-1-2(4)5/h1-3H,(H,4,5);1H2,(H,4,5).
What are the key properties of 2-fluoroacetic acid;1H-pyrazole?
2-fluoroacetic acid;1H-pyrazole has a molecular weight of 146.12 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroacetic acid;1H-pyrazole is sourced from PubChem (CID 175256168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).