trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide

C7H15BF3N2- — CID 124705695

IUPACtrifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide
SMILESCN1CCN(CC[B-](F)(F)F)CC1
InChIInChI=1S/C7H15BF3N2/c1-12-4-6-13(7-5-12)3-2-8(9,10)11/h2-7H2,1H3/q-1
InChIKeyGTUHDDQBPXGQQN-UHFFFAOYSA-N
MW195.02 g/mol
LogP1.08
Rot. Bonds3

About trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide

trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide (PubChem CID 124705695) has the molecular formula C7H15BF3N2- and a molecular weight of 195.02 g/mol. Its IUPAC name is trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide
PubChem CID124705695
Molecular FormulaC7H15BF3N2-
Molecular Weight195.02 g/mol
Exact Mass195.13
IUPAC Nametrifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide
SMILESCN1CCN(CC[B-](F)(F)F)CC1
InChIInChI=1S/C7H15BF3N2/c1-12-4-6-13(7-5-12)3-2-8(9,10)11/h2-7H2,1H3/q-1
InChIKeyGTUHDDQBPXGQQN-UHFFFAOYSA-N
XLogP1.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.02
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
1-(2-iodoethyl)-4-methylpiperazine
CID 67574455
1-but-3-enyl-4-methylpiperazine
CID 20649684
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
CID 59102100
CID 59102100
ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 145006572
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
1-(2,2-difluoroethyl)-4-methylpiperazine
CID 76646739

Frequently Asked Questions

What is the IUPAC name of trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide?
The IUPAC name of trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide (CID 124705695) is trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide.
What is the SMILES notation for trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide?
The canonical SMILES for trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide is CN1CCN(CC[B-](F)(F)F)CC1.
What is the InChIKey of trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide?
The InChIKey is GTUHDDQBPXGQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BF3N2/c1-12-4-6-13(7-5-12)3-2-8(9,10)11/h2-7H2,1H3/q-1.
What are the key properties of trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide?
trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide has a molecular weight of 195.02 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[2-(4-methylpiperazin-1-yl)ethyl]boranuide is sourced from PubChem (CID 124705695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).