1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

C8H13F3N2 — CID 66952484

IUPAC1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCCCN1C=CN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2/c1-2-3-12-4-5-13(7-12)6-8(9,10)11/h4-5H,2-3,6-7H2,1H3
InChIKeyYBHMJDJGBCWXRT-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.01
Rot. Bonds3

About 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (PubChem CID 66952484) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.

Molecular Properties

Compound Name1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
PubChem CID66952484
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCCCN1C=CN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2/c1-2-3-12-4-5-13(7-12)6-8(9,10)11/h4-5H,2-3,6-7H2,1H3
InChIKeyYBHMJDJGBCWXRT-UHFFFAOYSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The IUPAC name of 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (CID 66952484) is 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.
What is the SMILES notation for 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The canonical SMILES for 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is CCCN1C=CN(CC(F)(F)F)C1.
What is the InChIKey of 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The InChIKey is YBHMJDJGBCWXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-2-3-12-4-5-13(7-12)6-8(9,10)11/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole has a molecular weight of 194.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is sourced from PubChem (CID 66952484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).