2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole

C12H9F7N2 — CID 72942200

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=NCCN1c1ccccc1
InChIInChI=1S/C12H9F7N2/c13-10(14,11(15,16)12(17,18)19)9-20-6-7-21(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyAUVJDWOHCOSIOS-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.74
Rot. Bonds3

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole (PubChem CID 72942200) has the molecular formula C12H9F7N2 and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole
PubChem CID72942200
Molecular FormulaC12H9F7N2
Molecular Weight314.20 g/mol
Exact Mass314.07
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=NCCN1c1ccccc1
InChIInChI=1S/C12H9F7N2/c13-10(14,11(15,16)12(17,18)19)9-20-6-7-21(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyAUVJDWOHCOSIOS-UHFFFAOYSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole (CID 72942200) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole is FC(F)(F)C(F)(F)C(F)(F)C1=NCCN1c1ccccc1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole?
The InChIKey is AUVJDWOHCOSIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F7N2/c13-10(14,11(15,16)12(17,18)19)9-20-6-7-21(9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole has a molecular weight of 314.20 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 72942200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).