2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole

C8H9F3N2 — CID 90167964

IUPAC2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C8H9F3N2/c1-13-4-6(8(9,10)11)12-7(13)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyYWDDTYXINULCNE-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.32
Rot. Bonds1

About 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole

2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole (PubChem CID 90167964) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole
PubChem CID90167964
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C8H9F3N2/c1-13-4-6(8(9,10)11)12-7(13)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyYWDDTYXINULCNE-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole (CID 90167964) is 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole is Cn1cc(C(F)(F)F)nc1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole?
The InChIKey is YWDDTYXINULCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-13-4-6(8(9,10)11)12-7(13)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole?
2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole has a molecular weight of 190.17 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 90167964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).