2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde

C12H7F5N2O — CID 102201292

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde
SMILESO=Cc1cnc(C(F)(F)C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C12H7F5N2O/c13-11(14,12(15,16)17)10-18-6-9(7-20)19(10)8-4-2-1-3-5-8/h1-7H
InChIKeyVVIRVTRASGDRTP-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.34
Rot. Bonds3

About 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde

2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde (PubChem CID 102201292) has the molecular formula C12H7F5N2O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde
PubChem CID102201292
Molecular FormulaC12H7F5N2O
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde
SMILESO=Cc1cnc(C(F)(F)C(F)(F)F)n1-c1ccccc1
InChIInChI=1S/C12H7F5N2O/c13-11(14,12(15,16)17)10-18-6-9(7-20)19(10)8-4-2-1-3-5-8/h1-7H
InChIKeyVVIRVTRASGDRTP-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde (CID 102201292) is 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde is O=Cc1cnc(C(F)(F)C(F)(F)F)n1-c1ccccc1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde?
The InChIKey is VVIRVTRASGDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O/c13-11(14,12(15,16)17)10-18-6-9(7-20)19(10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde?
2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde has a molecular weight of 290.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-3-phenylimidazole-4-carbaldehyde is sourced from PubChem (CID 102201292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).