1-ethyl-2-fluoro-3-methyl-2H-imidazole

C6H11FN2 — CID 45087417

IUPAC1-ethyl-2-fluoro-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1F
InChIInChI=1S/C6H11FN2/c1-3-9-5-4-8(2)6(9)7/h4-6H,3H2,1-2H3
InChIKeyCSWPXPFCPVKHQL-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.98
Rot. Bonds1

About 1-ethyl-2-fluoro-3-methyl-2H-imidazole

1-ethyl-2-fluoro-3-methyl-2H-imidazole (PubChem CID 45087417) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-2-fluoro-3-methyl-2H-imidazole
PubChem CID45087417
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name1-ethyl-2-fluoro-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1F
InChIInChI=1S/C6H11FN2/c1-3-9-5-4-8(2)6(9)7/h4-6H,3H2,1-2H3
InChIKeyCSWPXPFCPVKHQL-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1H-Imidazole, 2,3-dihydro-1,3-dimethyl-
CID 5242259
1,3-Diethyl-2,3-dihydro-1H-imidazole
CID 19358755
1-Vinyl-3-ethyl imidazole
CID 19358762
1-Propyl-3-methylimidazole
CID 21917382
1-Ethyl-2,3-dimethyl-2,3-dihydro-1H-imidazole--hydrogen bromide (1/1)
CID 60196374
1-ethenyl-3-methyl-2H-imidazole
CID 3014750
1-ethyl-3-methyl-2H-imidazole
CID 5245486
1,2,3-Trimethyl-imidazole
CID 18006468
2-(1-Methyl-1,2-dihydroimidazol-3-yl)acetonitrile
CID 23001132
(1,3-Dimethyl-2,3-dihydroimidazol-2-yl)silver
CID 132277949
Imidazole, tetrahydro-1,3-dimethyl-2-methylene-
CID 144309
2-fluoro-1,3-dimethyl-2H-imidazole
CID 17776894

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-3-methyl-2H-imidazole?
The IUPAC name of 1-ethyl-2-fluoro-3-methyl-2H-imidazole (CID 45087417) is 1-ethyl-2-fluoro-3-methyl-2H-imidazole.
What is the SMILES notation for 1-ethyl-2-fluoro-3-methyl-2H-imidazole?
The canonical SMILES for 1-ethyl-2-fluoro-3-methyl-2H-imidazole is CCN1C=CN(C)C1F.
What is the InChIKey of 1-ethyl-2-fluoro-3-methyl-2H-imidazole?
The InChIKey is CSWPXPFCPVKHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-9-5-4-8(2)6(9)7/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-fluoro-3-methyl-2H-imidazole?
1-ethyl-2-fluoro-3-methyl-2H-imidazole has a molecular weight of 130.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-3-methyl-2H-imidazole is sourced from PubChem (CID 45087417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).