(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C9H15F3N2O2 — CID 103931434

IUPAC(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C9H15F3N2O2/c1-6-3-14(4-7(2)16-6)8(15)13-5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t6-,7+
InChIKeyKMCYTYRRNLJCBW-KNVOCYPGSA-N
MW240.22 g/mol
LogP1.37
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 103931434) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID103931434
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C9H15F3N2O2/c1-6-3-14(4-7(2)16-6)8(15)13-5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t6-,7+
InChIKeyKMCYTYRRNLJCBW-KNVOCYPGSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 660111
N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
CID 126793875
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
CID 5154894
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
N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865858
2-(Trifluoromethyl)morpholine-4-carboxamide
CID 127008665
2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone
CID 155354216
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555236
2,2,2-trifluoro-1-[(2R)-2-(methylaminomethyl)morpholin-4-yl]ethanone
CID 166684000

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 103931434) is (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is KMCYTYRRNLJCBW-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6-3-14(4-7(2)16-6)8(15)13-5-9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)/t6-,7+.
What are the key properties of (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
(2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 103931434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).