1-(2-fluoropropyl)-4-propan-2-ylimidazole

C9H15FN2 — CID 58213380

IUPAC1-(2-fluoropropyl)-4-propan-2-ylimidazole
SMILESCC(F)Cn1cnc(C(C)C)c1
InChIInChI=1S/C9H15FN2/c1-7(2)9-5-12(6-11-9)4-8(3)10/h5-8H,4H2,1-3H3
InChIKeyDEOOHFYFQUFBLS-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-fluoropropyl)-4-propan-2-ylimidazole

1-(2-fluoropropyl)-4-propan-2-ylimidazole (PubChem CID 58213380) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(2-fluoropropyl)-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(2-fluoropropyl)-4-propan-2-ylimidazole
PubChem CID58213380
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(2-fluoropropyl)-4-propan-2-ylimidazole
SMILESCC(F)Cn1cnc(C(C)C)c1
InChIInChI=1S/C9H15FN2/c1-7(2)9-5-12(6-11-9)4-8(3)10/h5-8H,4H2,1-3H3
InChIKeyDEOOHFYFQUFBLS-UHFFFAOYSA-N
XLogP2.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropyl)-4-propan-2-ylimidazole?
The IUPAC name of 1-(2-fluoropropyl)-4-propan-2-ylimidazole (CID 58213380) is 1-(2-fluoropropyl)-4-propan-2-ylimidazole.
What is the SMILES notation for 1-(2-fluoropropyl)-4-propan-2-ylimidazole?
The canonical SMILES for 1-(2-fluoropropyl)-4-propan-2-ylimidazole is CC(F)Cn1cnc(C(C)C)c1.
What is the InChIKey of 1-(2-fluoropropyl)-4-propan-2-ylimidazole?
The InChIKey is DEOOHFYFQUFBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-7(2)9-5-12(6-11-9)4-8(3)10/h5-8H,4H2,1-3H3.
What are the key properties of 1-(2-fluoropropyl)-4-propan-2-ylimidazole?
1-(2-fluoropropyl)-4-propan-2-ylimidazole has a molecular weight of 170.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)-4-propan-2-ylimidazole is sourced from PubChem (CID 58213380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).