2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C9H14F3N3O — CID 107484406

IUPAC2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCn1ccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-2-14-4-3-13-8(14)15(5-6-16)7-9(10,11)12/h3-4,16H,2,5-7H2,1H3
InChIKeyMFGYTNFYMBYDOP-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.26
Rot. Bonds5

About 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484406) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484406
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCn1ccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-2-14-4-3-13-8(14)15(5-6-16)7-9(10,11)12/h3-4,16H,2,5-7H2,1H3
InChIKeyMFGYTNFYMBYDOP-UHFFFAOYSA-N
XLogP1.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol
CID 55039440
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
2-[imidazo[1,2-a]pyridin-5-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484547
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652850
2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid
CID 62818569
2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62735874
2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478379

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484406) is 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCn1ccnc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is MFGYTNFYMBYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-14-4-3-13-8(14)15(5-6-16)7-9(10,11)12/h3-4,16H,2,5-7H2,1H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 237.22 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).