1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole

C6H3F7N2 — CID 87105356

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)n1ccnc1
InChIInChI=1S/C6H3F7N2/c7-4(8,5(9,10)11)6(12,13)15-2-1-14-3-15/h1-3H
InChIKeyUJLLQKITFJHJBR-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.63
Rot. Bonds2

About 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole

1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole (PubChem CID 87105356) has the molecular formula C6H3F7N2 and a molecular weight of 236.09 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole
PubChem CID87105356
Molecular FormulaC6H3F7N2
Molecular Weight236.09 g/mol
Exact Mass236.02
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)n1ccnc1
InChIInChI=1S/C6H3F7N2/c7-4(8,5(9,10)11)6(12,13)15-2-1-14-3-15/h1-3H
InChIKeyUJLLQKITFJHJBR-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1,1,2,2,3,3,3-heptafluoropropyl)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-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 91373212
1-(1,1,2,2,2-pentafluoroethyl)imidazole
CID 87105376
1-(2-bromo-1,1,2,2-tetrafluoroethyl)imidazole;1H-imidazole
CID 162234021
1-(tribromomethyl)imidazole
CID 174422009
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-imidazol-1-ylpropane-1,1-diamine
CID 67171821
1-[2-(3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutoxy)-1,1,2-trifluoroethyl]imidazole
CID 87421571
1-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)imidazol-3-ium
CID 87098440
1-methylimidazole;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 162535079

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole (CID 87105356) is 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole is FC(F)(F)C(F)(F)C(F)(F)n1ccnc1.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole?
The InChIKey is UJLLQKITFJHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7N2/c7-4(8,5(9,10)11)6(12,13)15-2-1-14-3-15/h1-3H.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole?
1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole has a molecular weight of 236.09 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropyl)imidazole is sourced from PubChem (CID 87105356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).