5-tert-butyl-1-(2-fluoroethyl)imidazole

C9H15FN2 — CID 59336418

IUPAC5-tert-butyl-1-(2-fluoroethyl)imidazole
SMILESCC(C)(C)c1cncn1CCF
InChIInChI=1S/C9H15FN2/c1-9(2,3)8-6-11-7-12(8)5-4-10/h6-7H,4-5H2,1-3H3
InChIKeyMLVKUWTUFPBEJP-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.15
Rot. Bonds2

About 5-tert-butyl-1-(2-fluoroethyl)imidazole

5-tert-butyl-1-(2-fluoroethyl)imidazole (PubChem CID 59336418) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-fluoroethyl)imidazole.

Molecular Properties

Compound Name5-tert-butyl-1-(2-fluoroethyl)imidazole
PubChem CID59336418
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name5-tert-butyl-1-(2-fluoroethyl)imidazole
SMILESCC(C)(C)c1cncn1CCF
InChIInChI=1S/C9H15FN2/c1-9(2,3)8-6-11-7-12(8)5-4-10/h6-7H,4-5H2,1-3H3
InChIKeyMLVKUWTUFPBEJP-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-fluoroethyl)imidazole?
The IUPAC name of 5-tert-butyl-1-(2-fluoroethyl)imidazole (CID 59336418) is 5-tert-butyl-1-(2-fluoroethyl)imidazole.
What is the SMILES notation for 5-tert-butyl-1-(2-fluoroethyl)imidazole?
The canonical SMILES for 5-tert-butyl-1-(2-fluoroethyl)imidazole is CC(C)(C)c1cncn1CCF.
What is the InChIKey of 5-tert-butyl-1-(2-fluoroethyl)imidazole?
The InChIKey is MLVKUWTUFPBEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-9(2,3)8-6-11-7-12(8)5-4-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2-fluoroethyl)imidazole?
5-tert-butyl-1-(2-fluoroethyl)imidazole has a molecular weight of 170.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-fluoroethyl)imidazole is sourced from PubChem (CID 59336418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).