trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide

C7H15BF3N2O- — CID 63703561

IUPACtrifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide
SMILESOCCN1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C7H15BF3N2O/c9-8(10,11)7-13-3-1-12(2-4-13)5-6-14/h14H,1-7H2/q-1
InChIKeyMTCFHNNZDPVGIH-UHFFFAOYSA-N
MW211.02 g/mol
LogP-0.02
Rot. Bonds4

About trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide

trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide (PubChem CID 63703561) has the molecular formula C7H15BF3N2O- and a molecular weight of 211.02 g/mol. Its IUPAC name is trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide
PubChem CID63703561
Molecular FormulaC7H15BF3N2O-
Molecular Weight211.02 g/mol
Exact Mass211.12
IUPAC Nametrifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide
SMILESOCCN1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C7H15BF3N2O/c9-8(10,11)7-13-3-1-12(2-4-13)5-6-14/h14H,1-7H2/q-1
InChIKeyMTCFHNNZDPVGIH-UHFFFAOYSA-N
XLogP-0.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl-trifluoroboranuide
CID 55233982
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
trifluoro-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]boranuide
CID 140686855
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide (CID 63703561) is trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide is OCCN1CCN(C[B-](F)(F)F)CC1.
What is the InChIKey of trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide?
The InChIKey is MTCFHNNZDPVGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BF3N2O/c9-8(10,11)7-13-3-1-12(2-4-13)5-6-14/h14H,1-7H2/q-1.
What are the key properties of trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide?
trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide has a molecular weight of 211.02 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]boranuide is sourced from PubChem (CID 63703561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).