3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole

C7H13FN2O — CID 170604352

IUPAC3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole
SMILESCOC(F)C(C)N1C=CNC1
InChIInChI=1S/C7H13FN2O/c1-6(7(8)11-2)10-4-3-9-5-10/h3-4,6-7,9H,5H2,1-2H3
InChIKeyYEZSRYLMMNKVLW-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.65
Rot. Bonds3

About 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole

3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole (PubChem CID 170604352) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole
PubChem CID170604352
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole
SMILESCOC(F)C(C)N1C=CNC1
InChIInChI=1S/C7H13FN2O/c1-6(7(8)11-2)10-4-3-9-5-10/h3-4,6-7,9H,5H2,1-2H3
InChIKeyYEZSRYLMMNKVLW-UHFFFAOYSA-N
XLogP0.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole?
The IUPAC name of 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole (CID 170604352) is 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole is COC(F)C(C)N1C=CNC1.
What is the InChIKey of 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole?
The InChIKey is YEZSRYLMMNKVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-6(7(8)11-2)10-4-3-9-5-10/h3-4,6-7,9H,5H2,1-2H3.
What are the key properties of 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole?
3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole has a molecular weight of 160.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-1-methoxypropan-2-yl)-1,2-dihydroimidazole is sourced from PubChem (CID 170604352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).