2-(3-fluoroprop-2-enyl)-1H-imidazole

C6H7FN2 — CID 70127229

IUPAC2-(3-fluoroprop-2-enyl)-1H-imidazole
SMILESFC=CCc1ncc[nH]1
InChIInChI=1S/C6H7FN2/c7-3-1-2-6-8-4-5-9-6/h1,3-5H,2H2,(H,8,9)
InChIKeyRBXAVTPVJGQGPM-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.44
Rot. Bonds2

About 2-(3-fluoroprop-2-enyl)-1H-imidazole

2-(3-fluoroprop-2-enyl)-1H-imidazole (PubChem CID 70127229) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 2-(3-fluoroprop-2-enyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-fluoroprop-2-enyl)-1H-imidazole
PubChem CID70127229
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name2-(3-fluoroprop-2-enyl)-1H-imidazole
SMILESFC=CCc1ncc[nH]1
InChIInChI=1S/C6H7FN2/c7-3-1-2-6-8-4-5-9-6/h1,3-5H,2H2,(H,8,9)
InChIKeyRBXAVTPVJGQGPM-UHFFFAOYSA-N
XLogP1.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroprop-2-enyl)-1H-imidazole?
The IUPAC name of 2-(3-fluoroprop-2-enyl)-1H-imidazole (CID 70127229) is 2-(3-fluoroprop-2-enyl)-1H-imidazole.
What is the SMILES notation for 2-(3-fluoroprop-2-enyl)-1H-imidazole?
The canonical SMILES for 2-(3-fluoroprop-2-enyl)-1H-imidazole is FC=CCc1ncc[nH]1.
What is the InChIKey of 2-(3-fluoroprop-2-enyl)-1H-imidazole?
The InChIKey is RBXAVTPVJGQGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c7-3-1-2-6-8-4-5-9-6/h1,3-5H,2H2,(H,8,9).
What are the key properties of 2-(3-fluoroprop-2-enyl)-1H-imidazole?
2-(3-fluoroprop-2-enyl)-1H-imidazole has a molecular weight of 126.13 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroprop-2-enyl)-1H-imidazole is sourced from PubChem (CID 70127229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).