2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C8H12F3N3O — CID 66119450

IUPAC2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCn1cncc1C(CO)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-5-12-2-7(14)6(3-15)13-4-8(9,10)11/h2,5-6,13,15H,3-4H2,1H3
InChIKeyRTZDEGBBBSGRAG-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.61
Rot. Bonds4

About 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 66119450) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID66119450
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCn1cncc1C(CO)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-5-12-2-7(14)6(3-15)13-4-8(9,10)11/h2,5-6,13,15H,3-4H2,1H3
InChIKeyRTZDEGBBBSGRAG-UHFFFAOYSA-N
XLogP0.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 66119450) is 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is Cn1cncc1C(CO)NCC(F)(F)F.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is RTZDEGBBBSGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-5-12-2-7(14)6(3-15)13-4-8(9,10)11/h2,5-6,13,15H,3-4H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 223.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 66119450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).