5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole

C12H17F3N2 — CID 15002822

IUPAC5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole
SMILESFC(F)(F)C(Cc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)11(6-10-7-16-8-17-10)9-4-2-1-3-5-9/h7-9,11H,1-6H2,(H,16,17)
InChIKeyXNSQXFYYFLUKTE-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.71
Rot. Bonds3

About 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole

5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole (PubChem CID 15002822) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole
PubChem CID15002822
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole
SMILESFC(F)(F)C(Cc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)11(6-10-7-16-8-17-10)9-4-2-1-3-5-9/h7-9,11H,1-6H2,(H,16,17)
InChIKeyXNSQXFYYFLUKTE-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole?
The IUPAC name of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole (CID 15002822) is 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole.
What is the SMILES notation for 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole?
The canonical SMILES for 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole is FC(F)(F)C(Cc1cnc[nH]1)C1CCCCC1.
What is the InChIKey of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole?
The InChIKey is XNSQXFYYFLUKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c13-12(14,15)11(6-10-7-16-8-17-10)9-4-2-1-3-5-9/h7-9,11H,1-6H2,(H,16,17).
What are the key properties of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole?
5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole has a molecular weight of 246.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole is sourced from PubChem (CID 15002822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).