5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one

C10H12F3NO4 — CID 103864923

IUPAC5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one
SMILESO=c1cc(CN(CCO)CC(F)(F)F)occ1O
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)6-14(1-2-15)4-7-3-8(16)9(17)5-18-7/h3,5,15,17H,1-2,4,6H2
InChIKeyLYNMNRDORKQCHG-UHFFFAOYSA-N
MW267.20 g/mol
LogP0.70
Rot. Bonds5

About 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one

5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one (PubChem CID 103864923) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one
PubChem CID103864923
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one
SMILESO=c1cc(CN(CCO)CC(F)(F)F)occ1O
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)6-14(1-2-15)4-7-3-8(16)9(17)5-18-7/h3,5,15,17H,1-2,4,6H2
InChIKeyLYNMNRDORKQCHG-UHFFFAOYSA-N
XLogP0.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Dimethylamino)methyl]-5-hydroxypyran-4-one
CID 90672509
5-Hydroxy-2-[[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one
CID 60331913
2-[[Cyclopropyl(2,2-difluoroethyl)amino]methyl]-5-hydroxypyran-4-one
CID 60332152
2-[[Cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-5-hydroxypyran-4-one
CID 71973877
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
CID 107485714
5-Hydroxy-2-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]pyran-4-one
CID 109968022
5-Hydroxy-2-(morpholinomethyl)-4H-pyran-4-one
CID 3318252
2-[[2,2-Dimethylpropyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
CID 60332189
2-[[2,2-Dimethylpropyl(3-hydroxypropyl)amino]methyl]-5-hydroxypyran-4-one
CID 60332191
5-Hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one
CID 60683914
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
CID 60685805
2-[[Bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
CID 60686429

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one (CID 103864923) is 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one is O=c1cc(CN(CCO)CC(F)(F)F)occ1O.
What is the InChIKey of 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one?
The InChIKey is LYNMNRDORKQCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4/c11-10(12,13)6-14(1-2-15)4-7-3-8(16)9(17)5-18-7/h3,5,15,17H,1-2,4,6H2.
What are the key properties of 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one has a molecular weight of 267.20 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one is sourced from PubChem (CID 103864923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).