1-(9-fluorononyl)-4,5-dihydroimidazole

C12H23FN2 — CID 141317562

IUPAC1-(9-fluorononyl)-4,5-dihydroimidazole
SMILESFCCCCCCCCCN1C=NCC1
InChIInChI=1S/C12H23FN2/c13-8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h12H,1-11H2
InChIKeyVRWVOPSDUONIOR-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.03
Rot. Bonds9

About 1-(9-fluorononyl)-4,5-dihydroimidazole

1-(9-fluorononyl)-4,5-dihydroimidazole (PubChem CID 141317562) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(9-fluorononyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(9-fluorononyl)-4,5-dihydroimidazole
PubChem CID141317562
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name1-(9-fluorononyl)-4,5-dihydroimidazole
SMILESFCCCCCCCCCN1C=NCC1
InChIInChI=1S/C12H23FN2/c13-8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h12H,1-11H2
InChIKeyVRWVOPSDUONIOR-UHFFFAOYSA-N
XLogP3.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9-fluorononyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(9-fluorononyl)-4,5-dihydroimidazole (CID 141317562) is 1-(9-fluorononyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(9-fluorononyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(9-fluorononyl)-4,5-dihydroimidazole is FCCCCCCCCCN1C=NCC1.
What is the InChIKey of 1-(9-fluorononyl)-4,5-dihydroimidazole?
The InChIKey is VRWVOPSDUONIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c13-8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h12H,1-11H2.
What are the key properties of 1-(9-fluorononyl)-4,5-dihydroimidazole?
1-(9-fluorononyl)-4,5-dihydroimidazole has a molecular weight of 214.33 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-fluorononyl)-4,5-dihydroimidazole is sourced from PubChem (CID 141317562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).