1-(1,1,2,2,2-pentafluoroethyl)imidazole

C5H3F5N2 — CID 87105376

IUPAC1-(1,1,2,2,2-pentafluoroethyl)imidazole
SMILESFC(F)(F)C(F)(F)n1ccnc1
InChIInChI=1S/C5H3F5N2/c6-4(7,8)5(9,10)12-2-1-11-3-12/h1-3H
InChIKeyKDOCFHZWWCFISQ-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.99
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)imidazole

1-(1,1,2,2,2-pentafluoroethyl)imidazole (PubChem CID 87105376) has the molecular formula C5H3F5N2 and a molecular weight of 186.08 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)imidazole.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)imidazole
PubChem CID87105376
Molecular FormulaC5H3F5N2
Molecular Weight186.08 g/mol
Exact Mass186.02
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)imidazole
SMILESFC(F)(F)C(F)(F)n1ccnc1
InChIInChI=1S/C5H3F5N2/c6-4(7,8)5(9,10)12-2-1-11-3-12/h1-3H
InChIKeyKDOCFHZWWCFISQ-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1,1,2,2,2-pentafluoroethyl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole
CID 87105356
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 91373212
1-(tribromomethyl)imidazole
CID 174422009
1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole
CID 162234021
2,2-difluoro-2-imidazol-1-ylacetyl fluoride
CID 71775166
ethyl 1,1,2,2-tetrafluoro-2-imidazol-1-ylethanesulfonate
CID 174983529
2-imidazol-1-ylpropan-2-ol
CID 57110355
1-[di(imidazol-1-yl)-isocyanomethyl]imidazole
CID 134917270
1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 5013174
1-imidazol-1-ylpropane-1,1-diamine
CID 67171821
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
1-[2-(2-chlorophenyl)propan-2-yl]imidazole
CID 142193020

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)imidazole?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)imidazole (CID 87105376) is 1-(1,1,2,2,2-pentafluoroethyl)imidazole.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)imidazole?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)imidazole is FC(F)(F)C(F)(F)n1ccnc1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)imidazole?
The InChIKey is KDOCFHZWWCFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2/c6-4(7,8)5(9,10)12-2-1-11-3-12/h1-3H.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)imidazole?
1-(1,1,2,2,2-pentafluoroethyl)imidazole has a molecular weight of 186.08 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)imidazole is sourced from PubChem (CID 87105376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).