2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine

C8H12F3N3S — CID 106433518

IUPAC2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
SMILESNCCc1cncn1CCSC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)15-4-3-14-6-13-5-7(14)1-2-12/h5-6H,1-4,12H2
InChIKeyMCUIVQOUYOZTBL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.64
Rot. Bonds5

About 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine

2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 106433518) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
PubChem CID106433518
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
SMILESNCCc1cncn1CCSC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c9-8(10,11)15-4-3-14-6-13-5-7(14)1-2-12/h5-6H,1-4,12H2
InChIKeyMCUIVQOUYOZTBL-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine (CID 106433518) is 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine is NCCc1cncn1CCSC(F)(F)F.
What is the InChIKey of 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is MCUIVQOUYOZTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c9-8(10,11)15-4-3-14-6-13-5-7(14)1-2-12/h5-6H,1-4,12H2.
What are the key properties of 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine?
2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 239.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106433518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).