2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide

C8H13F3N2O2 — CID 108865827

IUPAC2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(F)(F)F)CC(C)O1
InChIInChI=1S/C8H13F3N2O2/c1-5-3-13(4-6(2)15-5)7(14)12-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyIXSPQFXGVPMZTC-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.33
Rot. Bonds

About 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide

2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 108865827) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID108865827
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(F)(F)F)CC(C)O1
InChIInChI=1S/C8H13F3N2O2/c1-5-3-13(4-6(2)15-5)7(14)12-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)
InChIKeyIXSPQFXGVPMZTC-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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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
N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]morpholine-4-carboxamide
CID 1224651
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)morpholine-4-carboxamide
CID 4313899
(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
N-(trifluoromethyl)morpholine-4-carboxamide
CID 108865858
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)morpholine-4-carboxamide
CID 123355708
2-(Trifluoromethyl)morpholine-4-carboxamide
CID 127008665
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216
2-(2,2,2-Trifluoroethyl)morpholine-4-carboxamide
CID 175699611

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide (CID 108865827) is 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide is CC1CN(C(=O)NC(F)(F)F)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is IXSPQFXGVPMZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-5-3-13(4-6(2)15-5)7(14)12-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide?
2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 108865827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).