2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol

C7H13F3N4O — CID 107484812

IUPAC2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol
SMILES[N-]=[N+]=NCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H13F3N4O/c8-7(9,10)6-14(4-5-15)3-1-2-12-13-11/h15H,1-6H2
InChIKeyHLBNLGQTIDHIOE-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.54
Rot. Bonds7

About 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol

2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484812) has the molecular formula C7H13F3N4O and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484812
Molecular FormulaC7H13F3N4O
Molecular Weight226.20 g/mol
Exact Mass226.10
IUPAC Name2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol
SMILES[N-]=[N+]=NCCCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H13F3N4O/c8-7(9,10)6-14(4-5-15)3-1-2-12-13-11/h15H,1-6H2
InChIKeyHLBNLGQTIDHIOE-UHFFFAOYSA-N
XLogP1.54
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(Dimethylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857829
2-[2-Azidoethyl(2,2-difluoroethyl)amino]ethanol
CID 107484809
2-[3-Azidopropyl(2,2-difluoroethyl)amino]ethanol
CID 107484810
2-[2-Azidoethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484811
2-[2,2-Difluoroethyl(3-fluoropropyl)amino]ethanol
CID 107485373
2-[2,2-Difluoroethyl-[3-(dimethylamino)propyl]amino]ethanol
CID 107485661
2-[3-Azidopropyl(methyl)amino]ethanol
CID 61396603

Frequently Asked Questions

What is the IUPAC name of 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol (CID 107484812) is 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol is [N-]=[N+]=NCCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is HLBNLGQTIDHIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4O/c8-7(9,10)6-14(4-5-15)3-1-2-12-13-11/h15H,1-6H2.
What are the key properties of 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 226.20 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-azidopropyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).