2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane

C6H15BF3NO3 — CID 57364007

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane
SMILESFB(F)F.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.BF3/c8-4-1-7(2-5-9)3-6-10;2-1(3)4/h8-10H,1-6H2;
InChIKeyDRQFBCMQBWNTNV-UHFFFAOYSA-N
MW217.00 g/mol
LogP-0.85
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane

2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane (PubChem CID 57364007) has the molecular formula C6H15BF3NO3 and a molecular weight of 217.00 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane
PubChem CID57364007
Molecular FormulaC6H15BF3NO3
Molecular Weight217.00 g/mol
Exact Mass217.11
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane
SMILESFB(F)F.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.BF3/c8-4-1-7(2-5-9)3-6-10;2-1(3)4/h8-10H,1-6H2;
InChIKeyDRQFBCMQBWNTNV-UHFFFAOYSA-N
XLogP-0.85
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.00
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane (CID 57364007) is 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane is FB(F)F.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane?
The InChIKey is DRQFBCMQBWNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.BF3/c8-4-1-7(2-5-9)3-6-10;2-1(3)4/h8-10H,1-6H2;.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane?
2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane has a molecular weight of 217.00 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;trifluoroborane is sourced from PubChem (CID 57364007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).