3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one

C12H15F3N2O — CID 168907304

IUPAC3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one
SMILESCC(C)n1cc(C(F)(F)F)nc1C1CCC(=O)C1
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-6-10(12(13,14)15)16-11(17)8-3-4-9(18)5-8/h6-8H,3-5H2,1-2H3
InChIKeyGMYSWKNSFSXFKL-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.32
Rot. Bonds2

About 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one

3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one (PubChem CID 168907304) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one
PubChem CID168907304
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one
SMILESCC(C)n1cc(C(F)(F)F)nc1C1CCC(=O)C1
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-6-10(12(13,14)15)16-11(17)8-3-4-9(18)5-8/h6-8H,3-5H2,1-2H3
InChIKeyGMYSWKNSFSXFKL-UHFFFAOYSA-N
XLogP3.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one?
The IUPAC name of 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one (CID 168907304) is 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one?
The canonical SMILES for 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one is CC(C)n1cc(C(F)(F)F)nc1C1CCC(=O)C1.
What is the InChIKey of 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one?
The InChIKey is GMYSWKNSFSXFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(2)17-6-10(12(13,14)15)16-11(17)8-3-4-9(18)5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one?
3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one has a molecular weight of 260.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclopentan-1-one is sourced from PubChem (CID 168907304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).