4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine

C8H10F3N3S — CID 106433901

IUPAC4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
SMILESNc1cc(NCCSC(F)(F)F)ccn1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)15-4-3-13-6-1-2-14-7(12)5-6/h1-2,5H,3-4H2,(H3,12,13,14)
InChIKeyZWSIIOJVSOWFQT-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.33
Rot. Bonds4

About 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine

4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine (PubChem CID 106433901) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
PubChem CID106433901
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
SMILESNc1cc(NCCSC(F)(F)F)ccn1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)15-4-3-13-6-1-2-14-7(12)5-6/h1-2,5H,3-4H2,(H3,12,13,14)
InChIKeyZWSIIOJVSOWFQT-UHFFFAOYSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine (CID 106433901) is 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine is Nc1cc(NCCSC(F)(F)F)ccn1.
What is the InChIKey of 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
The InChIKey is ZWSIIOJVSOWFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)15-4-3-13-6-1-2-14-7(12)5-6/h1-2,5H,3-4H2,(H3,12,13,14).
What are the key properties of 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine?
4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine has a molecular weight of 237.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 106433901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).