1-(2-fluoroethyl)imidazole

C5H7FN2 — CID 80611893

IUPAC1-(2-fluoroethyl)imidazole
SMILESFCCn1ccnc1
InChIInChI=1S/C5H7FN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2
InChIKeyXOADUFKGDUTSTK-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.85
Rot. Bonds2

About 1-(2-fluoroethyl)imidazole

1-(2-fluoroethyl)imidazole (PubChem CID 80611893) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 1-(2-fluoroethyl)imidazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)imidazole
PubChem CID80611893
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name1-(2-fluoroethyl)imidazole
SMILESFCCn1ccnc1
InChIInChI=1S/C5H7FN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2
InChIKeyXOADUFKGDUTSTK-UHFFFAOYSA-N
XLogP0.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)imidazole?
The IUPAC name of 1-(2-fluoroethyl)imidazole (CID 80611893) is 1-(2-fluoroethyl)imidazole.
What is the SMILES notation for 1-(2-fluoroethyl)imidazole?
The canonical SMILES for 1-(2-fluoroethyl)imidazole is FCCn1ccnc1.
What is the InChIKey of 1-(2-fluoroethyl)imidazole?
The InChIKey is XOADUFKGDUTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3H2.
What are the key properties of 1-(2-fluoroethyl)imidazole?
1-(2-fluoroethyl)imidazole has a molecular weight of 114.12 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)imidazole is sourced from PubChem (CID 80611893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).