2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide

C13H23F3N2O3 — CID 100658017

IUPAC2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCCOCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C13H23F3N2O3/c1-11(2)7-18(8-12(3,4)21-11)10(19)17-5-6-20-9-13(14,15)16/h5-9H2,1-4H3,(H,17,19)
InChIKeyRTMFJLZEIXWEBW-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.16
Rot. Bonds4

About 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide

2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide (PubChem CID 100658017) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide
PubChem CID100658017
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCCOCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C13H23F3N2O3/c1-11(2)7-18(8-12(3,4)21-11)10(19)17-5-6-20-9-13(14,15)16/h5-9H2,1-4H3,(H,17,19)
InChIKeyRTMFJLZEIXWEBW-UHFFFAOYSA-N
XLogP2.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683352
2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 102744984
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223589
1-(2-methoxyethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226701
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63833712
propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 116656095
2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 79927147
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 55261667
1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279337
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]oxyacetic acid
CID 102744885

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide (CID 100658017) is 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide is CC1(C)CN(C(=O)NCCOCC(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide?
The InChIKey is RTMFJLZEIXWEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-11(2)7-18(8-12(3,4)21-11)10(19)17-5-6-20-9-13(14,15)16/h5-9H2,1-4H3,(H,17,19).
What are the key properties of 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide?
2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 100658017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).