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

C9H16F3N3O2 — CID 113463042

IUPAC2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCNCC1CN(C(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3N3O2/c1-13-4-7-5-15(2-3-17-7)8(16)14-6-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,16)
InChIKeyYAAWHSPWEFUIJT-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.18
Rot. Bonds3

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

2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 113463042) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID113463042
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESCNCC1CN(C(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3N3O2/c1-13-4-7-5-15(2-3-17-7)8(16)14-6-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,16)
InChIKeyYAAWHSPWEFUIJT-UHFFFAOYSA-N
XLogP0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)morpholine-4-carboxamide
CID 2180707
N-(3-fluoropropyl)-3-methoxypiperidine-1-carboxamide
CID 75439641
N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide
CID 75502454
(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
CID 126793875
N-[(3S)-3-amino-4-fluorobutyl]morpholine-4-carboxamide
CID 68244754
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
2-(Trifluoromethyl)morpholine-4-carboxamide
CID 127008665
2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone
CID 155354216
1-[(2R)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2,2,2-trifluoroethanone
CID 162424214

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 113463042) is 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is CNCC1CN(C(=O)NCC(F)(F)F)CCO1.
What is the InChIKey of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is YAAWHSPWEFUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-13-4-7-5-15(2-3-17-7)8(16)14-6-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,16).
What are the key properties of 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 113463042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).