4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole

C9H13FN2O2 — CID 139383489

IUPAC4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole
SMILESCC1(COCc2[nH]cnc2F)COC1
InChIInChI=1S/C9H13FN2O2/c1-9(4-14-5-9)3-13-2-7-8(10)12-6-11-7/h6H,2-5H2,1H3,(H,11,12)
InChIKeyJHOQWWDMWOWGIO-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.10
Rot. Bonds4

About 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole

4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole (PubChem CID 139383489) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole.

Molecular Properties

Compound Name4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole
PubChem CID139383489
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole
SMILESCC1(COCc2[nH]cnc2F)COC1
InChIInChI=1S/C9H13FN2O2/c1-9(4-14-5-9)3-13-2-7-8(10)12-6-11-7/h6H,2-5H2,1H3,(H,11,12)
InChIKeyJHOQWWDMWOWGIO-UHFFFAOYSA-N
XLogP1.10
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-5-methyl-3H-imidazole
CID 12362436
(3-methyloxetan-3-yl)methyl 5-fluoro-1H-imidazole-4-carboxylate
CID 139383490
5-[[(E)-but-2-en-2-yl]oxymethyl]-4-fluoro-1H-imidazole
CID 178823439
Ethanamine, 2-((5-methyl-1H-imidazol-4-yl)methoxy)-
CID 157952
4-fluoro-5-(methoxymethyl)-1H-imidazole
CID 55288406
4-(methoxymethyl)-5-methyl-1H-imidazole;hydrochloride
CID 12885467
4-(ethoxymethyl)-5-methyl-1H-imidazole;hydrochloride
CID 20331729
4-(ethoxymethyl)-5-methyl-1H-imidazole
CID 20331730
3-[(5-methyl-1H-imidazol-4-yl)methoxy]propanenitrile
CID 20505223
ethyl 3-[(5-methyl-1H-imidazol-4-yl)methoxy]propanimidate
CID 20505227
N'-cyano-3-[(5-methyl-1H-imidazol-4-yl)methoxy]propanimidamide
CID 20505235
5-methyl-4-(propoxymethyl)-1H-imidazole
CID 23462120

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole?
The IUPAC name of 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole (CID 139383489) is 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole.
What is the SMILES notation for 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole?
The canonical SMILES for 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole is CC1(COCc2[nH]cnc2F)COC1.
What is the InChIKey of 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole?
The InChIKey is JHOQWWDMWOWGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-9(4-14-5-9)3-13-2-7-8(10)12-6-11-7/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole?
4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole has a molecular weight of 200.21 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(3-methyloxetan-3-yl)methoxymethyl]-1H-imidazole is sourced from PubChem (CID 139383489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).