1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone

C11H19F3N2O2 — CID 126803246

IUPAC1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone
SMILESCC(C)[C@H](NCC(=O)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(2)10(11(12,13)14)15-7-9(17)16-3-5-18-6-4-16/h8,10,15H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyJHQJKFBLAOWGLA-JTQLQIEISA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds4

About 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone

1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone (PubChem CID 126803246) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone
PubChem CID126803246
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone
SMILESCC(C)[C@H](NCC(=O)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(2)10(11(12,13)14)15-7-9(17)16-3-5-18-6-4-16/h8,10,15H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyJHQJKFBLAOWGLA-JTQLQIEISA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone with MolForge

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Related Compounds

ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
CID 103746720
1-morpholin-4-yl-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanone
CID 106212223
methyl 4-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]pentanoate
CID 54940231
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
2-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 61218287

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone (CID 126803246) is 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone is CC(C)[C@H](NCC(=O)N1CCOCC1)C(F)(F)F.
What is the InChIKey of 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone?
The InChIKey is JHQJKFBLAOWGLA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)10(11(12,13)14)15-7-9(17)16-3-5-18-6-4-16/h8,10,15H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone?
1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone has a molecular weight of 268.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]ethanone is sourced from PubChem (CID 126803246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).