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

C10H16F3N3O — CID 66131252

IUPAC2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCCCn1cncc1C(CO)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-3-16-7-14-4-9(16)8(5-17)15-6-10(11,12)13/h4,7-8,15,17H,2-3,5-6H2,1H3
InChIKeyXCCSYGJJRPBQKS-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.48
Rot. Bonds6

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

2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 66131252) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID66131252
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCCCn1cncc1C(CO)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-3-16-7-14-4-9(16)8(5-17)15-6-10(11,12)13/h4,7-8,15,17H,2-3,5-6H2,1H3
InChIKeyXCCSYGJJRPBQKS-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 66131252) is 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is CCCn1cncc1C(CO)NCC(F)(F)F.
What is the InChIKey of 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is XCCSYGJJRPBQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-3-16-7-14-4-9(16)8(5-17)15-6-10(11,12)13/h4,7-8,15,17H,2-3,5-6H2,1H3.
What are the key properties of 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 251.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylimidazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 66131252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).