5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole

C9H15FN2 — CID 59623652

IUPAC5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole
SMILESCn1c(CC(C)(C)C)cnc1F
InChIInChI=1S/C9H15FN2/c1-9(2,3)5-7-6-11-8(10)12(7)4/h6H,5H2,1-4H3
InChIKeyHUHDPWOZVUWAJO-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.15
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole

5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole (PubChem CID 59623652) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole
PubChem CID59623652
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole
SMILESCn1c(CC(C)(C)C)cnc1F
InChIInChI=1S/C9H15FN2/c1-9(2,3)5-7-6-11-8(10)12(7)4/h6H,5H2,1-4H3
InChIKeyHUHDPWOZVUWAJO-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole (CID 59623652) is 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole is Cn1c(CC(C)(C)C)cnc1F.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole?
The InChIKey is HUHDPWOZVUWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-9(2,3)5-7-6-11-8(10)12(7)4/h6H,5H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole?
5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole has a molecular weight of 170.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-fluoro-1-methylimidazole is sourced from PubChem (CID 59623652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).