1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid

C6H5F5N2O2 — CID 45049471

IUPAC1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)F.c1c[nH]cn1
InChIInChI=1S/C3HF5O2.C3H4N2/c4-2(5,1(9)10)3(6,7)8;1-2-5-3-4-1/h(H,9,10);1-3H,(H,4,5)
InChIKeyRBBUNFKWHMWBAN-UHFFFAOYSA-N
MW232.11 g/mol
LogP1.68
Rot. Bonds1

About 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid

1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 45049471) has the molecular formula C6H5F5N2O2 and a molecular weight of 232.11 g/mol. Its IUPAC name is 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID45049471
Molecular FormulaC6H5F5N2O2
Molecular Weight232.11 g/mol
Exact Mass232.03
IUPAC Name1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)F.c1c[nH]cn1
InChIInChI=1S/C3HF5O2.C3H4N2/c4-2(5,1(9)10)3(6,7)8;1-2-5-3-4-1/h(H,9,10);1-3H,(H,4,5)
InChIKeyRBBUNFKWHMWBAN-UHFFFAOYSA-N
XLogP1.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid 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 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid (CID 45049471) is 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid is O=C(O)C(F)(F)C(F)(F)F.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is RBBUNFKWHMWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O2.C3H4N2/c4-2(5,1(9)10)3(6,7)8;1-2-5-3-4-1/h(H,9,10);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid?
1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 232.11 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 45049471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).