2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol

C6H12F2N4O — CID 107484809

IUPAC2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol
SMILES[N-]=[N+]=NCCN(CCO)CC(F)F
InChIInChI=1S/C6H12F2N4O/c7-6(8)5-12(3-4-13)2-1-10-11-9/h6,13H,1-5H2
InChIKeyHQRFSMVWKOEXNW-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.86
Rot. Bonds7

About 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol

2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484809) has the molecular formula C6H12F2N4O and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol
PubChem CID107484809
Molecular FormulaC6H12F2N4O
Molecular Weight194.18 g/mol
Exact Mass194.10
IUPAC Name2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol
SMILES[N-]=[N+]=NCCN(CCO)CC(F)F
InChIInChI=1S/C6H12F2N4O/c7-6(8)5-12(3-4-13)2-1-10-11-9/h6,13H,1-5H2
InChIKeyHQRFSMVWKOEXNW-UHFFFAOYSA-N
XLogP0.86
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-Azidoethyl)(2-hydroxyethyl)dimethylazanium
CID 117969166
2-[3-Azidopropyl(2,2-difluoroethyl)amino]ethanol
CID 107484810
2-[2-Azidoethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484811
2-[3-Azidopropyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484812
2-[2-Azidoethyl(methyl)amino]ethanol
CID 61396591
2-[Bis(2-azidoethyl)amino]ethanol
CID 91611711
2-[2-Azidoethyl(2-hydroxyethyl)amino]ethanol
CID 61396441
2-[2-Azidoethyl(ethyl)amino]ethanol
CID 61396589

Frequently Asked Questions

What is the IUPAC name of 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol (CID 107484809) is 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol is [N-]=[N+]=NCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol?
The InChIKey is HQRFSMVWKOEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N4O/c7-6(8)5-12(3-4-13)2-1-10-11-9/h6,13H,1-5H2.
What are the key properties of 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol?
2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol has a molecular weight of 194.18 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-azidoethyl(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).