2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol

C7H17FN2O — CID 142924414

IUPAC2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol
SMILESCCN(C)CCN(F)CCO
InChIInChI=1S/C7H17FN2O/c1-3-9(2)4-5-10(8)6-7-11/h11H,3-7H2,1-2H3
InChIKeyXLKJQHUAUIHDLT-UHFFFAOYSA-N
MW164.22 g/mol
LogP0.12
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol

2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol (PubChem CID 142924414) has the molecular formula C7H17FN2O and a molecular weight of 164.22 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol
PubChem CID142924414
Molecular FormulaC7H17FN2O
Molecular Weight164.22 g/mol
Exact Mass164.13
IUPAC Name2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol
SMILESCCN(C)CCN(F)CCO
InChIInChI=1S/C7H17FN2O/c1-3-9(2)4-5-10(8)6-7-11/h11H,3-7H2,1-2H3
InChIKeyXLKJQHUAUIHDLT-UHFFFAOYSA-N
XLogP0.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol (CID 142924414) is 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol is CCN(C)CCN(F)CCO.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol?
The InChIKey is XLKJQHUAUIHDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2O/c1-3-9(2)4-5-10(8)6-7-11/h11H,3-7H2,1-2H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol?
2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol has a molecular weight of 164.22 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethyl-fluoroamino]ethanol is sourced from PubChem (CID 142924414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).