1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole

C10H13F3N2O — CID 172585743

IUPAC1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
SMILESCCCc1nc(C(F)(F)F)cn1C1COC1
InChIInChI=1S/C10H13F3N2O/c1-2-3-9-14-8(10(11,12)13)4-15(9)7-5-16-6-7/h4,7H,2-3,5-6H2,1H3
InChIKeyXDTWTYILEMLQGV-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.43
Rot. Bonds3

About 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole

1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole (PubChem CID 172585743) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
PubChem CID172585743
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
SMILESCCCc1nc(C(F)(F)F)cn1C1COC1
InChIInChI=1S/C10H13F3N2O/c1-2-3-9-14-8(10(11,12)13)4-15(9)7-5-16-6-7/h4,7H,2-3,5-6H2,1H3
InChIKeyXDTWTYILEMLQGV-UHFFFAOYSA-N
XLogP2.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
CID 172596773
4-tert-butyl-1-cyclopentyl-2-ethylimidazole
CID 167328090
4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole
CID 130138637
CID 172596873
CID 172596873
(3S)-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
CID 90215365
5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 169072222
1-cycloheptyl-2-propylimidazole-4-sulfonamide
CID 82935138
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83851254
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 134710494
1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole
CID 172584491
(11S)-13-tert-butyl-5-(trifluoromethyl)-9-oxa-1,3,6,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2,4,6-triene
CID 171587678

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole (CID 172585743) is 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole is CCCc1nc(C(F)(F)F)cn1C1COC1.
What is the InChIKey of 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
The InChIKey is XDTWTYILEMLQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-3-9-14-8(10(11,12)13)4-15(9)7-5-16-6-7/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole?
1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole has a molecular weight of 234.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 172585743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).