1-(2-fluorobutyl)-2-methylimidazole

C8H13FN2 — CID 127000116

IUPAC1-(2-fluorobutyl)-2-methylimidazole
SMILESCCC(F)Cn1ccnc1C
InChIInChI=1S/C8H13FN2/c1-3-8(9)6-11-5-4-10-7(11)2/h4-5,8H,3,6H2,1-2H3
InChIKeyRNFRXLJNFMZREH-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-fluorobutyl)-2-methylimidazole

1-(2-fluorobutyl)-2-methylimidazole (PubChem CID 127000116) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-(2-fluorobutyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(2-fluorobutyl)-2-methylimidazole
PubChem CID127000116
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name1-(2-fluorobutyl)-2-methylimidazole
SMILESCCC(F)Cn1ccnc1C
InChIInChI=1S/C8H13FN2/c1-3-8(9)6-11-5-4-10-7(11)2/h4-5,8H,3,6H2,1-2H3
InChIKeyRNFRXLJNFMZREH-UHFFFAOYSA-N
XLogP1.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobutyl)-2-methylimidazole?
The IUPAC name of 1-(2-fluorobutyl)-2-methylimidazole (CID 127000116) is 1-(2-fluorobutyl)-2-methylimidazole.
What is the SMILES notation for 1-(2-fluorobutyl)-2-methylimidazole?
The canonical SMILES for 1-(2-fluorobutyl)-2-methylimidazole is CCC(F)Cn1ccnc1C.
What is the InChIKey of 1-(2-fluorobutyl)-2-methylimidazole?
The InChIKey is RNFRXLJNFMZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-3-8(9)6-11-5-4-10-7(11)2/h4-5,8H,3,6H2,1-2H3.
What are the key properties of 1-(2-fluorobutyl)-2-methylimidazole?
1-(2-fluorobutyl)-2-methylimidazole has a molecular weight of 156.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobutyl)-2-methylimidazole is sourced from PubChem (CID 127000116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).