1-(1-fluoroprop-2-enyl)imidazole

C6H7FN2 — CID 70127223

IUPAC1-(1-fluoroprop-2-enyl)imidazole
SMILESC=CC(F)n1ccnc1
InChIInChI=1S/C6H7FN2/c1-2-6(7)9-4-3-8-5-9/h2-6H,1H2
InChIKeyCHVCXDACITXDHS-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.54
Rot. Bonds2

About 1-(1-fluoroprop-2-enyl)imidazole

1-(1-fluoroprop-2-enyl)imidazole (PubChem CID 70127223) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 1-(1-fluoroprop-2-enyl)imidazole.

Molecular Properties

Compound Name1-(1-fluoroprop-2-enyl)imidazole
PubChem CID70127223
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name1-(1-fluoroprop-2-enyl)imidazole
SMILESC=CC(F)n1ccnc1
InChIInChI=1S/C6H7FN2/c1-2-6(7)9-4-3-8-5-9/h2-6H,1H2
InChIKeyCHVCXDACITXDHS-UHFFFAOYSA-N
XLogP1.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Butyl-3-methylimidazolium chloride
CID 2734161
1-Ethyl-3-methylimidazolium tetrafluoroborate
CID 2769348
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium hexafluorophosphate
CID 2758873
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroprop-2-enyl)imidazole?
The IUPAC name of 1-(1-fluoroprop-2-enyl)imidazole (CID 70127223) is 1-(1-fluoroprop-2-enyl)imidazole.
What is the SMILES notation for 1-(1-fluoroprop-2-enyl)imidazole?
The canonical SMILES for 1-(1-fluoroprop-2-enyl)imidazole is C=CC(F)n1ccnc1.
What is the InChIKey of 1-(1-fluoroprop-2-enyl)imidazole?
The InChIKey is CHVCXDACITXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-2-6(7)9-4-3-8-5-9/h2-6H,1H2.
What are the key properties of 1-(1-fluoroprop-2-enyl)imidazole?
1-(1-fluoroprop-2-enyl)imidazole has a molecular weight of 126.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroprop-2-enyl)imidazole is sourced from PubChem (CID 70127223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).