3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

C10H20F3N3O2 — CID 55170948

IUPAC3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-17-6-4-16(3-2-9(14)15)5-7-18-8-10(11,12)13/h2-8H2,1H3,(H3,14,15)
InChIKeyMMKSCBWESFKUPZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.84
Rot. Bonds10

About 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (PubChem CID 55170948) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
PubChem CID55170948
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-17-6-4-16(3-2-9(14)15)5-7-18-8-10(11,12)13/h2-8H2,1H3,(H3,14,15)
InChIKeyMMKSCBWESFKUPZ-UHFFFAOYSA-N
XLogP0.84
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The IUPAC name of 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (CID 55170948) is 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)CCOCC(F)(F)F.
What is the InChIKey of 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The InChIKey is MMKSCBWESFKUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-17-6-4-16(3-2-9(14)15)5-7-18-8-10(11,12)13/h2-8H2,1H3,(H3,14,15).
What are the key properties of 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide has a molecular weight of 271.28 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 55170948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).