2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C8H13F3N2O2 — CID 115583927

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O2/c1-6-4-13(2-3-15-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyRCOLVVIUAUSHLD-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.98
Rot. Bonds1

About 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 115583927) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID115583927
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O2/c1-6-4-13(2-3-15-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyRCOLVVIUAUSHLD-UHFFFAOYSA-N
XLogP0.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.98
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 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 115583927) is 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is CC1CN(C(=O)NCC(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is RCOLVVIUAUSHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-6-4-13(2-3-15-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 115583927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).