2-[(2-amino-1-fluoroethyl)amino]ethanol

C4H11FN2O — CID 87643715

IUPAC2-[(2-amino-1-fluoroethyl)amino]ethanol
SMILESNCC(F)NCCO
InChIInChI=1S/C4H11FN2O/c5-4(3-6)7-1-2-8/h4,7-8H,1-3,6H2
InChIKeyBJTDMFQSVZGTKG-UHFFFAOYSA-N
MW122.14 g/mol
LogP-1.18
Rot. Bonds4

About 2-[(2-amino-1-fluoroethyl)amino]ethanol

2-[(2-amino-1-fluoroethyl)amino]ethanol (PubChem CID 87643715) has the molecular formula C4H11FN2O and a molecular weight of 122.14 g/mol. Its IUPAC name is 2-[(2-amino-1-fluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-1-fluoroethyl)amino]ethanol
PubChem CID87643715
Molecular FormulaC4H11FN2O
Molecular Weight122.14 g/mol
Exact Mass122.09
IUPAC Name2-[(2-amino-1-fluoroethyl)amino]ethanol
SMILESNCC(F)NCCO
InChIInChI=1S/C4H11FN2O/c5-4(3-6)7-1-2-8/h4,7-8H,1-3,6H2
InChIKeyBJTDMFQSVZGTKG-UHFFFAOYSA-N
XLogP-1.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-fluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-1-fluoroethyl)amino]ethanol (CID 87643715) is 2-[(2-amino-1-fluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-1-fluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-1-fluoroethyl)amino]ethanol is NCC(F)NCCO.
What is the InChIKey of 2-[(2-amino-1-fluoroethyl)amino]ethanol?
The InChIKey is BJTDMFQSVZGTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2O/c5-4(3-6)7-1-2-8/h4,7-8H,1-3,6H2.
What are the key properties of 2-[(2-amino-1-fluoroethyl)amino]ethanol?
2-[(2-amino-1-fluoroethyl)amino]ethanol has a molecular weight of 122.14 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-fluoroethyl)amino]ethanol is sourced from PubChem (CID 87643715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).