1-(3-fluoropropyl)-2-propan-2-ylimidazole

C9H15FN2 — CID 81114179

IUPAC1-(3-fluoropropyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCCF
InChIInChI=1S/C9H15FN2/c1-8(2)9-11-5-7-12(9)6-3-4-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLWXDLSNDGBQYQX-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-fluoropropyl)-2-propan-2-ylimidazole

1-(3-fluoropropyl)-2-propan-2-ylimidazole (PubChem CID 81114179) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-propan-2-ylimidazole
PubChem CID81114179
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(3-fluoropropyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCCF
InChIInChI=1S/C9H15FN2/c1-8(2)9-11-5-7-12(9)6-3-4-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLWXDLSNDGBQYQX-UHFFFAOYSA-N
XLogP2.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(3-fluoropropyl)-2-propan-2-ylimidazole (CID 81114179) is 1-(3-fluoropropyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(3-fluoropropyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(3-fluoropropyl)-2-propan-2-ylimidazole is CC(C)c1nccn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-propan-2-ylimidazole?
The InChIKey is LWXDLSNDGBQYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-8(2)9-11-5-7-12(9)6-3-4-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2-propan-2-ylimidazole?
1-(3-fluoropropyl)-2-propan-2-ylimidazole has a molecular weight of 170.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 81114179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).