1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone

C11H19F3N2O2 — CID 162424371

IUPAC1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone
SMILESCC(C)(C)NC[C@H]1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14/h8,15H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyABQZIBKTGWDSIP-QMMMGPOBSA-N
MW268.28 g/mol
LogP1.16
Rot. Bonds2

About 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone

1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone (PubChem CID 162424371) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone
PubChem CID162424371
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone
SMILESCC(C)(C)NC[C@H]1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14/h8,15H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyABQZIBKTGWDSIP-QMMMGPOBSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3254694
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide
CID 11550261
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
2,2,2-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 78917066
2,2,2-Trifluoro-1-[2-(methylaminomethyl)morpholin-4-yl]ethanone
CID 81688304
1-[2-(Aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
CID 82508420
N-cyclopropyl-2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide
CID 138722815
N-[[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]methyl]azetidine-3-carboxamide
CID 146314066
2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone
CID 155354216
N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide
CID 156794806
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]-2-methylpropan-2-amine
CID 159141091
2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424213

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone (CID 162424371) is 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone is CC(C)(C)NC[C@H]1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is ABQZIBKTGWDSIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)15-6-8-7-16(4-5-18-8)9(17)11(12,13)14/h8,15H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone?
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 268.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 162424371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).