[methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate

C6H11F3N2O2 — CID 87792869

IUPAC[methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate
SMILESCNCCN(C)OC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-10-3-4-11(2)13-5(12)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyBXNFESLLHMUGGX-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.16
Rot. Bonds4

About [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate

[methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate (PubChem CID 87792869) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate
PubChem CID87792869
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name[methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate
SMILESCNCCN(C)OC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-10-3-4-11(2)13-5(12)6(7,8)9/h10H,3-4H2,1-2H3
InChIKeyBXNFESLLHMUGGX-UHFFFAOYSA-N
XLogP0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate?
The IUPAC name of [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate (CID 87792869) is [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate?
The canonical SMILES for [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate is CNCCN(C)OC(=O)C(F)(F)F.
What is the InChIKey of [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate?
The InChIKey is BXNFESLLHMUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-10-3-4-11(2)13-5(12)6(7,8)9/h10H,3-4H2,1-2H3.
What are the key properties of [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate?
[methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate has a molecular weight of 200.16 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 87792869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).