4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane

C12H20F2N2O — CID 170707530

IUPAC4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane
SMILESCC.CCc1nc(C(C)(F)F)cn1C1COC1
InChIInChI=1S/C10H14F2N2O.C2H6/c1-3-9-13-8(10(2,11)12)4-14(9)7-5-15-6-7;1-2/h4,7H,3,5-6H2,1-2H3;1-2H3
InChIKeyQBLFFWIADSVOLX-UHFFFAOYSA-N
MW246.30 g/mol
LogP3.15
Rot. Bonds3

About 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane

4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane (PubChem CID 170707530) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane
PubChem CID170707530
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane
SMILESCC.CCc1nc(C(C)(F)F)cn1C1COC1
InChIInChI=1S/C10H14F2N2O.C2H6/c1-3-9-13-8(10(2,11)12)4-14(9)7-5-15-6-7;1-2/h4,7H,3,5-6H2,1-2H3;1-2H3
InChIKeyQBLFFWIADSVOLX-UHFFFAOYSA-N
XLogP3.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[Bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride
CID 54505841
1-[3-Ethyl-2-(2,2,2-trifluoroethoxy)imidazol-4-yl]ethanamine
CID 57782233
CID 58450196
CID 58450196
CID 58450312
CID 58450312
5-Ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
CID 59746127
1,2-Dimethyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole
CID 68210670
1-Ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)imidazole
CID 68229663
1,2-Dimethyl-5-(2,2,2-trifluoroethyl)imidazole
CID 69174145
[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
CID 90162200
4-(1,1-Difluoroethyl)-1-propan-2-yl-2-(trifluoromethyl)imidazole
CID 90162785
4-Methyl-1-[2-(trifluoromethoxy)ethyl]imidazole
CID 90886767
4-Methyl-1-[2-(trifluoromethoxy)propyl]imidazole
CID 91555481

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane?
The IUPAC name of 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane (CID 170707530) is 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane.
What is the SMILES notation for 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane?
The canonical SMILES for 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane is CC.CCc1nc(C(C)(F)F)cn1C1COC1.
What is the InChIKey of 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane?
The InChIKey is QBLFFWIADSVOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O.C2H6/c1-3-9-13-8(10(2,11)12)4-14(9)7-5-15-6-7;1-2/h4,7H,3,5-6H2,1-2H3;1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane?
4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane has a molecular weight of 246.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-2-ethyl-1-(oxetan-3-yl)imidazole;ethane is sourced from PubChem (CID 170707530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).