N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

C8H9F3INOS — CID 106427006

IUPACN-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCc1ccc(I)o1
InChIInChI=1S/C8H9F3INOS/c9-8(10,11)15-4-3-13-5-6-1-2-7(12)14-6/h1-2,13H,3-5H2
InChIKeyHMMDTUVBDKLGNV-UHFFFAOYSA-N
MW351.13 g/mol
LogP3.23
Rot. Bonds5

About N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 106427006) has the molecular formula C8H9F3INOS and a molecular weight of 351.13 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID106427006
Molecular FormulaC8H9F3INOS
Molecular Weight351.13 g/mol
Exact Mass350.94
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCc1ccc(I)o1
InChIInChI=1S/C8H9F3INOS/c9-8(10,11)15-4-3-13-5-6-1-2-7(12)14-6/h1-2,13H,3-5H2
InChIKeyHMMDTUVBDKLGNV-UHFFFAOYSA-N
XLogP3.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584884
N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767985
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106371593
N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
CID 43763160
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
N-[(2-ethylphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615591
2-(cyclopenten-1-yl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 106169331
1-[(5-iodofuran-2-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106245884
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
3-[(5-iodofuran-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66169874
4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]benzoic acid
CID 114187458

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (CID 106427006) is N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is FC(F)(F)SCCNCc1ccc(I)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is HMMDTUVBDKLGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3INOS/c9-8(10,11)15-4-3-13-5-6-1-2-7(12)14-6/h1-2,13H,3-5H2.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 351.13 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 106427006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).