2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one

C9H15F3N2O3 — CID 81202845

IUPAC2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(N)(C(=O)N1CCOC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-8(13,9(10,11)12)7(16)14-2-3-17-6(4-14)5-15/h6,15H,2-5,13H2,1H3
InChIKeyIBYGRVBHKJTDJR-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.51
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one (PubChem CID 81202845) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
PubChem CID81202845
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(N)(C(=O)N1CCOC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-8(13,9(10,11)12)7(16)14-2-3-17-6(4-14)5-15/h6,15H,2-5,13H2,1H3
InChIKeyIBYGRVBHKJTDJR-UHFFFAOYSA-N
XLogP-0.51
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-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-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 81209184
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one (CID 81202845) is 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one is CC(N)(C(=O)N1CCOC(CO)C1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is IBYGRVBHKJTDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-8(13,9(10,11)12)7(16)14-2-3-17-6(4-14)5-15/h6,15H,2-5,13H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 256.22 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 81202845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).