3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide

C8H16F3N3O — CID 103370628

IUPAC3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCOC)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-14(3-4-15-2)5-6(7(12)13)8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyMWOKJHRFLBFWSD-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.68
Rot. Bonds6

About 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide (PubChem CID 103370628) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide
PubChem CID103370628
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCOC)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-14(3-4-15-2)5-6(7(12)13)8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyMWOKJHRFLBFWSD-UHFFFAOYSA-N
XLogP0.68
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanimidamide
CID 54988220
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
2-Methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54992046
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 54992500
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54996526
3-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54997066
3-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide (CID 103370628) is 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CCOC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide?
The InChIKey is MWOKJHRFLBFWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-14(3-4-15-2)5-6(7(12)13)8(9,10)11/h6H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide has a molecular weight of 227.23 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).