ethane;2-fluoro-5-methyl-1H-imidazole

C6H11FN2 — CID 178095563

IUPACethane;2-fluoro-5-methyl-1H-imidazole
SMILESCC.Cc1cnc(F)[nH]1
InChIInChI=1S/C4H5FN2.C2H6/c1-3-2-6-4(5)7-3;1-2/h2H,1H3,(H,6,7);1-2H3
InChIKeyXJODCSWGSROPGH-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.88
Rot. Bonds

About ethane;2-fluoro-5-methyl-1H-imidazole

ethane;2-fluoro-5-methyl-1H-imidazole (PubChem CID 178095563) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is ethane;2-fluoro-5-methyl-1H-imidazole.

Molecular Properties

Compound Nameethane;2-fluoro-5-methyl-1H-imidazole
PubChem CID178095563
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Nameethane;2-fluoro-5-methyl-1H-imidazole
SMILESCC.Cc1cnc(F)[nH]1
InChIInChI=1S/C4H5FN2.C2H6/c1-3-2-6-4(5)7-3;1-2/h2H,1H3,(H,6,7);1-2H3
InChIKeyXJODCSWGSROPGH-UHFFFAOYSA-N
XLogP1.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5-methyl-1H-imidazole?
The IUPAC name of ethane;2-fluoro-5-methyl-1H-imidazole (CID 178095563) is ethane;2-fluoro-5-methyl-1H-imidazole.
What is the SMILES notation for ethane;2-fluoro-5-methyl-1H-imidazole?
The canonical SMILES for ethane;2-fluoro-5-methyl-1H-imidazole is CC.Cc1cnc(F)[nH]1.
What is the InChIKey of ethane;2-fluoro-5-methyl-1H-imidazole?
The InChIKey is XJODCSWGSROPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2.C2H6/c1-3-2-6-4(5)7-3;1-2/h2H,1H3,(H,6,7);1-2H3.
What are the key properties of ethane;2-fluoro-5-methyl-1H-imidazole?
ethane;2-fluoro-5-methyl-1H-imidazole has a molecular weight of 130.17 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-methyl-1H-imidazole is sourced from PubChem (CID 178095563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).