2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide

C8H9F3N2O3 — CID 59049807

IUPAC2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide
SMILESCN1C(=O)CC[C@H](NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O3/c1-13-5(14)3-2-4(6(13)15)12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)/t4-/m0/s1
InChIKeyABHRFJPGGLOEDX-BYPYZUCNSA-N
MW238.16 g/mol
LogP-0.19
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide

2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide (PubChem CID 59049807) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide
PubChem CID59049807
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide
SMILESCN1C(=O)CC[C@H](NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O3/c1-13-5(14)3-2-4(6(13)15)12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)/t4-/m0/s1
InChIKeyABHRFJPGGLOEDX-BYPYZUCNSA-N
XLogP-0.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(S)-N-(2,6-Dioxopiperidin-3-yl)pentanamide
CID 10965828
N-(2,6-Dioxopiperidin-3-yl)acetamide
CID 15788111
Cyclo(-ala-gln)
CID 9209568
(5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 57781821
3-Amino-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 64238355
3-(Methylamino)piperidine-2,6-dione hydrochloride
CID 119106328
3-Amino-1-methylpiperidine-2,6-dione hydrochloride
CID 121553463
(2R)-2-Amino-N-[(3S)-2,6-dioxo-3-piperidinyl]propanamide
CID 10584135
3-(3-Aminopropyl)-6-methylpiperazine-2,5-dione
CID 44369040
1-Methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
CID 45100045
3-Amino-1-methylpiperidine-2,6-dione
CID 18334961
(5R)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 57781827

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide (CID 59049807) is 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide is CN1C(=O)CC[C@H](NC(=O)C(F)(F)F)C1=O.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
The InChIKey is ABHRFJPGGLOEDX-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-13-5(14)3-2-4(6(13)15)12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)/t4-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide has a molecular weight of 238.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide is sourced from PubChem (CID 59049807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).