2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide

C10H19F3IN3O2 — CID 120661175

IUPAC2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOCC(F)(F)F)CCO1.I
InChIInChI=1S/C10H18F3N3O2.HI/c1-8-6-16(3-5-18-8)9(14)15-2-4-17-7-10(11,12)13;/h8H,2-7H2,1H3,(H2,14,15);1H
InChIKeyMBLWKNGNROGBCR-UHFFFAOYSA-N
MW397.18 g/mol
LogP1.22
Rot. Bonds4

About 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661175) has the molecular formula C10H19F3IN3O2 and a molecular weight of 397.18 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661175
Molecular FormulaC10H19F3IN3O2
Molecular Weight397.18 g/mol
Exact Mass397.05
IUPAC Name2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOCC(F)(F)F)CCO1.I
InChIInChI=1S/C10H18F3N3O2.HI/c1-8-6-16(3-5-18-8)9(14)15-2-4-17-7-10(11,12)13;/h8H,2-7H2,1H3,(H2,14,15);1H
InChIKeyMBLWKNGNROGBCR-UHFFFAOYSA-N
XLogP1.22
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 51.22
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 120661175) is 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CCOCC(F)(F)F)CCO1.I.
What is the InChIKey of 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is MBLWKNGNROGBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2.HI/c1-8-6-16(3-5-18-8)9(14)15-2-4-17-7-10(11,12)13;/h8H,2-7H2,1H3,(H2,14,15);1H.
What are the key properties of 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.18 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).