5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde

C6H6ClFN2O — CID 84655780

IUPAC5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde
SMILESO=Cc1ncc(Cl)n1CCF
InChIInChI=1S/C6H6ClFN2O/c7-5-3-9-6(4-11)10(5)2-1-8/h3-4H,1-2H2
InChIKeyBUIKTQYLAAKPLK-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.32
Rot. Bonds3

About 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde

5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde (PubChem CID 84655780) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde
PubChem CID84655780
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde
SMILESO=Cc1ncc(Cl)n1CCF
InChIInChI=1S/C6H6ClFN2O/c7-5-3-9-6(4-11)10(5)2-1-8/h3-4H,1-2H2
InChIKeyBUIKTQYLAAKPLK-UHFFFAOYSA-N
XLogP1.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde?
The IUPAC name of 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde (CID 84655780) is 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde is O=Cc1ncc(Cl)n1CCF.
What is the InChIKey of 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde?
The InChIKey is BUIKTQYLAAKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c7-5-3-9-6(4-11)10(5)2-1-8/h3-4H,1-2H2.
What are the key properties of 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde?
5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde has a molecular weight of 176.58 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-fluoroethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 84655780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).