2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

C9H13F3N2O3 — CID 122605534

IUPAC2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H13F3N2O3/c1-6(13-8(16)9(10,11)12)7(15)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H,13,16)/t6-/m0/s1
InChIKeyJBCZKGDKOUGIEM-LURJTMIESA-N
MW254.21 g/mol
LogP-0.09
Rot. Bonds2

About 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (PubChem CID 122605534) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
PubChem CID122605534
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H13F3N2O3/c1-6(13-8(16)9(10,11)12)7(15)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H,13,16)/t6-/m0/s1
InChIKeyJBCZKGDKOUGIEM-LURJTMIESA-N
XLogP-0.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide (CID 122605534) is 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is C[C@H](NC(=O)C(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
The InChIKey is JBCZKGDKOUGIEM-LURJTMIESA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-6(13-8(16)9(10,11)12)7(15)14-2-4-17-5-3-14/h6H,2-5H2,1H3,(H,13,16)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide has a molecular weight of 254.21 g/mol, XLogP of -0.09, 2 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-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 122605534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).