1-cyclobutyl-4-(trifluoromethyl)imidazole

C8H9F3N2 — CID 176717540

IUPAC1-cyclobutyl-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(C2CCC2)cn1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-4-13(5-12-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyBUJHXJWZZPHHRC-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.63
Rot. Bonds1

About 1-cyclobutyl-4-(trifluoromethyl)imidazole

1-cyclobutyl-4-(trifluoromethyl)imidazole (PubChem CID 176717540) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-cyclobutyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-cyclobutyl-4-(trifluoromethyl)imidazole
PubChem CID176717540
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1-cyclobutyl-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(C2CCC2)cn1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)7-4-13(5-12-7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyBUJHXJWZZPHHRC-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-cyclobutyl-4-(trifluoromethyl)imidazole (CID 176717540) is 1-cyclobutyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-cyclobutyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-cyclobutyl-4-(trifluoromethyl)imidazole is FC(F)(F)c1cn(C2CCC2)cn1.
What is the InChIKey of 1-cyclobutyl-4-(trifluoromethyl)imidazole?
The InChIKey is BUJHXJWZZPHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)7-4-13(5-12-7)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 1-cyclobutyl-4-(trifluoromethyl)imidazole?
1-cyclobutyl-4-(trifluoromethyl)imidazole has a molecular weight of 190.17 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 176717540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).