1-(2-fluoroethyl)-4-propylimidazole

C8H13FN2 — CID 59383101

IUPAC1-(2-fluoroethyl)-4-propylimidazole
SMILESCCCc1cn(CCF)cn1
InChIInChI=1S/C8H13FN2/c1-2-3-8-6-11(5-4-9)7-10-8/h6-7H,2-5H2,1H3
InChIKeyZKFDUPVDBWJDRF-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-fluoroethyl)-4-propylimidazole

1-(2-fluoroethyl)-4-propylimidazole (PubChem CID 59383101) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-propylimidazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-propylimidazole
PubChem CID59383101
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name1-(2-fluoroethyl)-4-propylimidazole
SMILESCCCc1cn(CCF)cn1
InChIInChI=1S/C8H13FN2/c1-2-3-8-6-11(5-4-9)7-10-8/h6-7H,2-5H2,1H3
InChIKeyZKFDUPVDBWJDRF-UHFFFAOYSA-N
XLogP1.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-propylimidazole?
The IUPAC name of 1-(2-fluoroethyl)-4-propylimidazole (CID 59383101) is 1-(2-fluoroethyl)-4-propylimidazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-propylimidazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-propylimidazole is CCCc1cn(CCF)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-4-propylimidazole?
The InChIKey is ZKFDUPVDBWJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-2-3-8-6-11(5-4-9)7-10-8/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-propylimidazole?
1-(2-fluoroethyl)-4-propylimidazole has a molecular weight of 156.20 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-propylimidazole is sourced from PubChem (CID 59383101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).