4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole

C9H13F3N2 — CID 58049411

IUPAC4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole
SMILESCC(C)(C)c1cn(CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N2/c1-8(2,3)7-4-14(6-13-7)5-9(10,11)12/h4,6H,5H2,1-3H3
InChIKeyMTVYNALPJPFVKG-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.74
Rot. Bonds1

About 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole

4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 58049411) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID58049411
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole
SMILESCC(C)(C)c1cn(CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N2/c1-8(2,3)7-4-14(6-13-7)5-9(10,11)12/h4,6H,5H2,1-3H3
InChIKeyMTVYNALPJPFVKG-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole (CID 58049411) is 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole is CC(C)(C)c1cn(CC(F)(F)F)cn1.
What is the InChIKey of 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is MTVYNALPJPFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-8(2,3)7-4-14(6-13-7)5-9(10,11)12/h4,6H,5H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole?
4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 206.21 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 58049411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).