2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole

C14H17FN2O — CID 139501617

IUPAC2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole
SMILESCC(C)c1c(F)cccc1OCc1nccn1C
InChIInChI=1S/C14H17FN2O/c1-10(2)14-11(15)5-4-6-12(14)18-9-13-16-7-8-17(13)3/h4-8,10H,9H2,1-3H3
InChIKeyGRCJQLLCRDSHQR-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.26
Rot. Bonds4

About 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole

2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole (PubChem CID 139501617) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole
PubChem CID139501617
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole
SMILESCC(C)c1c(F)cccc1OCc1nccn1C
InChIInChI=1S/C14H17FN2O/c1-10(2)14-11(15)5-4-6-12(14)18-9-13-16-7-8-17(13)3/h4-8,10H,9H2,1-3H3
InChIKeyGRCJQLLCRDSHQR-UHFFFAOYSA-N
XLogP3.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole (CID 139501617) is 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole is CC(C)c1c(F)cccc1OCc1nccn1C.
What is the InChIKey of 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The InChIKey is GRCJQLLCRDSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)14-11(15)5-4-6-12(14)18-9-13-16-7-8-17(13)3/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole?
2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole has a molecular weight of 248.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-propan-2-ylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 139501617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).