2-[2-aminoethyl(fluoro)amino]ethanol

C4H11FN2O — CID 87643716

IUPAC2-[2-aminoethyl(fluoro)amino]ethanol
SMILESNCCN(F)CCO
InChIInChI=1S/C4H11FN2O/c5-7(2-1-6)3-4-8/h8H,1-4,6H2
InChIKeySGSLCKIXRJESEG-UHFFFAOYSA-N
MW122.14 g/mol
LogP-0.88
Rot. Bonds4

About 2-[2-aminoethyl(fluoro)amino]ethanol

2-[2-aminoethyl(fluoro)amino]ethanol (PubChem CID 87643716) has the molecular formula C4H11FN2O and a molecular weight of 122.14 g/mol. Its IUPAC name is 2-[2-aminoethyl(fluoro)amino]ethanol.

Molecular Properties

Compound Name2-[2-aminoethyl(fluoro)amino]ethanol
PubChem CID87643716
Molecular FormulaC4H11FN2O
Molecular Weight122.14 g/mol
Exact Mass122.09
IUPAC Name2-[2-aminoethyl(fluoro)amino]ethanol
SMILESNCCN(F)CCO
InChIInChI=1S/C4H11FN2O/c5-7(2-1-6)3-4-8/h8H,1-4,6H2
InChIKeySGSLCKIXRJESEG-UHFFFAOYSA-N
XLogP-0.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
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-aminoethyl(fluoro)amino]ethanol?
The IUPAC name of 2-[2-aminoethyl(fluoro)amino]ethanol (CID 87643716) is 2-[2-aminoethyl(fluoro)amino]ethanol.
What is the SMILES notation for 2-[2-aminoethyl(fluoro)amino]ethanol?
The canonical SMILES for 2-[2-aminoethyl(fluoro)amino]ethanol is NCCN(F)CCO.
What is the InChIKey of 2-[2-aminoethyl(fluoro)amino]ethanol?
The InChIKey is SGSLCKIXRJESEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2O/c5-7(2-1-6)3-4-8/h8H,1-4,6H2.
What are the key properties of 2-[2-aminoethyl(fluoro)amino]ethanol?
2-[2-aminoethyl(fluoro)amino]ethanol has a molecular weight of 122.14 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(fluoro)amino]ethanol is sourced from PubChem (CID 87643716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).