[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide

C7H9BClF3NS- — CID 63705419

IUPAC[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
SMILESCN(Cc1ccc(Cl)s1)C[B-](F)(F)F
InChIInChI=1S/C7H9BClF3NS/c1-13(5-8(10,11)12)4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3/q-1
InChIKeyRNIMLSVCZFQXQY-UHFFFAOYSA-N
MW242.48 g/mol
LogP3.22
Rot. Bonds4

About [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide

[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide (PubChem CID 63705419) has the molecular formula C7H9BClF3NS- and a molecular weight of 242.48 g/mol. Its IUPAC name is [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
PubChem CID63705419
Molecular FormulaC7H9BClF3NS-
Molecular Weight242.48 g/mol
Exact Mass242.02
IUPAC Name[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
SMILESCN(Cc1ccc(Cl)s1)C[B-](F)(F)F
InChIInChI=1S/C7H9BClF3NS/c1-13(5-8(10,11)12)4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3/q-1
InChIKeyRNIMLSVCZFQXQY-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide 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

1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-(methylamino)propanoic acid
CID 115256176
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
CID 61442075
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
CID 79478506
[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
CID 63289452

Frequently Asked Questions

What is the IUPAC name of [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide?
The IUPAC name of [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide (CID 63705419) is [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide.
What is the SMILES notation for [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide?
The canonical SMILES for [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide is CN(Cc1ccc(Cl)s1)C[B-](F)(F)F.
What is the InChIKey of [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide?
The InChIKey is RNIMLSVCZFQXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BClF3NS/c1-13(5-8(10,11)12)4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3/q-1.
What are the key properties of [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide?
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide has a molecular weight of 242.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide is sourced from PubChem (CID 63705419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).