4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole

C11H12FN3O — CID 102975429

IUPAC4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
SMILESCc1ccc(F)cc1OCc1cn(C)nn1
InChIInChI=1S/C11H12FN3O/c1-8-3-4-9(12)5-11(8)16-7-10-6-15(2)14-13-10/h3-6H,7H2,1-2H3
InChIKeyOKXPYMQIEVNCPB-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.84
Rot. Bonds3

About 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole

4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole (PubChem CID 102975429) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
PubChem CID102975429
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
SMILESCc1ccc(F)cc1OCc1cn(C)nn1
InChIInChI=1S/C11H12FN3O/c1-8-3-4-9(12)5-11(8)16-7-10-6-15(2)14-13-10/h3-6H,7H2,1-2H3
InChIKeyOKXPYMQIEVNCPB-UHFFFAOYSA-N
XLogP1.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
CID 103866206
1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043841
4-[(5-fluoro-2-nitrophenoxy)methyl]-1-methyltriazole
CID 103866197
3-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 107051631
N-[[5-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107695847
4-[[2-(4-chlorobut-1-ynyl)-5-fluorophenoxy]methyl]-1-methyltriazole
CID 107051722
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043902
3-fluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenecarbothioamide
CID 107665921
2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757956

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole?
The IUPAC name of 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole (CID 102975429) is 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole?
The canonical SMILES for 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole is Cc1ccc(F)cc1OCc1cn(C)nn1.
What is the InChIKey of 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole?
The InChIKey is OKXPYMQIEVNCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-8-3-4-9(12)5-11(8)16-7-10-6-15(2)14-13-10/h3-6H,7H2,1-2H3.
What are the key properties of 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole?
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole has a molecular weight of 221.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole is sourced from PubChem (CID 102975429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).