2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide

C9H16F3N3O2 — CID 120662210

IUPAC2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCOC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3N3O2/c1-7-6-15(3-5-16-7)8(13)14-2-4-17-9(10,11)12/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyLZPDXOOAQRLZPJ-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide

2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide (PubChem CID 120662210) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide
PubChem CID120662210
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCOC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3N3O2/c1-7-6-15(3-5-16-7)8(13)14-2-4-17-9(10,11)12/h7H,2-6H2,1H3,(H2,13,14)
InChIKeyLZPDXOOAQRLZPJ-UHFFFAOYSA-N
XLogP0.56
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 91644058
2-methyl-1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848257
2-methyl-1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848258
1-Ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471790
1-Ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471791
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471966
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471967
2-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472558
2-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472559
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472974
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472975
1-Ethyl-3-(3-morpholin-4-ylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110971737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide (CID 120662210) is 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide is CC1CN(/C(N)=N/CCOC(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide?
The InChIKey is LZPDXOOAQRLZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-7-6-15(3-5-16-7)8(13)14-2-4-17-9(10,11)12/h7H,2-6H2,1H3,(H2,13,14).
What are the key properties of 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide?
2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide has a molecular weight of 255.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120662210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).