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

C10H14F3N3O — CID 66139478

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cncn1C1CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)5-15-8(4-17)9-3-14-6-16(9)7-1-2-7/h3,6-8,15,17H,1-2,4-5H2
InChIKeyZOTUOOUMMFLMQQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.40
Rot. Bonds5

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

2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 66139478) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID66139478
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cncn1C1CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)5-15-8(4-17)9-3-14-6-16(9)7-1-2-7/h3,6-8,15,17H,1-2,4-5H2
InChIKeyZOTUOOUMMFLMQQ-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 66139478) is 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)c1cncn1C1CC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is ZOTUOOUMMFLMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)5-15-8(4-17)9-3-14-6-16(9)7-1-2-7/h3,6-8,15,17H,1-2,4-5H2.
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 249.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 66139478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).