1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole

C12H10F4N2O — CID 71025404

IUPAC1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole
SMILESCc1cn(Oc2cc(C)c(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C12H10F4N2O/c1-7-3-9(19-18-5-8(2)17-6-18)4-10(13)11(7)12(14,15)16/h3-6H,1-2H3
InChIKeyBXXBIKMSICORMC-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.50
Rot. Bonds2

About 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole

1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole (PubChem CID 71025404) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole.

Molecular Properties

Compound Name1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole
PubChem CID71025404
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole
SMILESCc1cn(Oc2cc(C)c(C(F)(F)F)c(F)c2)cn1
InChIInChI=1S/C12H10F4N2O/c1-7-3-9(19-18-5-8(2)17-6-18)4-10(13)11(7)12(14,15)16/h3-6H,1-2H3
InChIKeyBXXBIKMSICORMC-UHFFFAOYSA-N
XLogP3.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole?
The IUPAC name of 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole (CID 71025404) is 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole.
What is the SMILES notation for 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole?
The canonical SMILES for 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole is Cc1cn(Oc2cc(C)c(C(F)(F)F)c(F)c2)cn1.
What is the InChIKey of 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole?
The InChIKey is BXXBIKMSICORMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-7-3-9(19-18-5-8(2)17-6-18)4-10(13)11(7)12(14,15)16/h3-6H,1-2H3.
What are the key properties of 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole?
1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole has a molecular weight of 274.22 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole is sourced from PubChem (CID 71025404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).