2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole

C9H13F3N2 — CID 64565963

IUPAC2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole
SMILESCC(C)c1nccn1CCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7(2)8-13-4-6-14(8)5-3-9(10,11)12/h4,6-7H,3,5H2,1-2H3
InChIKeyAGFRKLNYXHBNCU-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.96
Rot. Bonds3

About 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole

2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole (PubChem CID 64565963) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole.

Molecular Properties

Compound Name2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole
PubChem CID64565963
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole
SMILESCC(C)c1nccn1CCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-7(2)8-13-4-6-14(8)5-3-9(10,11)12/h4,6-7H,3,5H2,1-2H3
InChIKeyAGFRKLNYXHBNCU-UHFFFAOYSA-N
XLogP2.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole?
The IUPAC name of 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole (CID 64565963) is 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole.
What is the SMILES notation for 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole?
The canonical SMILES for 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole is CC(C)c1nccn1CCC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole?
The InChIKey is AGFRKLNYXHBNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-7(2)8-13-4-6-14(8)5-3-9(10,11)12/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole?
2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole has a molecular weight of 206.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(3,3,3-trifluoropropyl)imidazole is sourced from PubChem (CID 64565963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).