1-(oxan-4-yl)-2-(trifluoromethyl)imidazole

C9H11F3N2O — CID 71665286

IUPAC1-(oxan-4-yl)-2-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1nccn1C1CCOCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-13-3-4-14(8)7-1-5-15-6-2-7/h3-4,7H,1-2,5-6H2
InChIKeyDPXWYMBJZPHJFT-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.25
Rot. Bonds1

About 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole

1-(oxan-4-yl)-2-(trifluoromethyl)imidazole (PubChem CID 71665286) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-(trifluoromethyl)imidazole
PubChem CID71665286
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(oxan-4-yl)-2-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1nccn1C1CCOCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-13-3-4-14(8)7-1-5-15-6-2-7/h3-4,7H,1-2,5-6H2
InChIKeyDPXWYMBJZPHJFT-UHFFFAOYSA-N
XLogP2.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(oxan-4-yl)-1H-imidazole
CID 66520754
1-(Tetrahydro-2H-pyran-2-yl)-1H-imidazole
CID 58743621
4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine
CID 97128566
1-[1-(1,2-Difluoroethoxy)-1,1,2,3,4,4,4-heptafluorobutan-2-yl]imidazole
CID 57667501
1-[1-(1,1-Difluorobutoxy)-2,2,2-trifluoroethyl]imidazole
CID 57667511
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
CID 61329901
2-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
CID 63810837
2-Propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole
CID 64150555
1-methyl-3-[methyl-(tetrahydro-pyran-4-yl)-sulfamoyl]-3H-imidazol-1-ium trifluoromethanesulfonate
CID 86634169
1,2-Dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium
CID 87105368
[1-Methyl-3-[methyl(oxan-4-yl)sulfamoyl]imidazol-1-ium-2-yl] trifluoromethanesulfonate
CID 87527110
1-[1-(2,2-Difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole
CID 89114482

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole (CID 71665286) is 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole is FC(F)(F)c1nccn1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole?
The InChIKey is DPXWYMBJZPHJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8-13-3-4-14(8)7-1-5-15-6-2-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole?
1-(oxan-4-yl)-2-(trifluoromethyl)imidazole has a molecular weight of 220.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 71665286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).