2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one

C13H16F3NO2 — CID 107481265

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-10(12(19)11-5-3-2-4-6-11)17(7-8-18)9-13(14,15)16/h2-6,10,18H,7-9H2,1H3
InChIKeyOXCBZQOTYVGRDQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one (PubChem CID 107481265) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
PubChem CID107481265
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-10(12(19)11-5-3-2-4-6-11)17(7-8-18)9-13(14,15)16/h2-6,10,18H,7-9H2,1H3
InChIKeyOXCBZQOTYVGRDQ-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-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-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one
CID 55010357
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 107480919
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 107481165
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one (CID 107481265) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one?
The InChIKey is OXCBZQOTYVGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-10(12(19)11-5-3-2-4-6-11)17(7-8-18)9-13(14,15)16/h2-6,10,18H,7-9H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one has a molecular weight of 275.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 107481265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).