1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole

C8H8F6N2 — CID 166740492

IUPAC1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole
SMILESCC(C)n1cnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H8F6N2/c1-4(2)16-3-15-5(7(9,10)11)6(16)8(12,13)14/h3-4H,1-2H3
InChIKeyFLLJZNSZUXEOIE-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.50
Rot. Bonds1

About 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole

1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole (PubChem CID 166740492) has the molecular formula C8H8F6N2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole
PubChem CID166740492
Molecular FormulaC8H8F6N2
Molecular Weight246.15 g/mol
Exact Mass246.06
IUPAC Name1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole
SMILESCC(C)n1cnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H8F6N2/c1-4(2)16-3-15-5(7(9,10)11)6(16)8(12,13)14/h3-4H,1-2H3
InChIKeyFLLJZNSZUXEOIE-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole?
The IUPAC name of 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole (CID 166740492) is 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole.
What is the SMILES notation for 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole?
The canonical SMILES for 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole is CC(C)n1cnc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole?
The InChIKey is FLLJZNSZUXEOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2/c1-4(2)16-3-15-5(7(9,10)11)6(16)8(12,13)14/h3-4H,1-2H3.
What are the key properties of 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole?
1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole has a molecular weight of 246.15 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5-bis(trifluoromethyl)imidazole is sourced from PubChem (CID 166740492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).