3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine

C10H8F8N2S — CID 4213155

IUPAC3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C10H8F8N2S/c1-2-3-19-8-5(12)6(4(11)7(13)20-8)21-10(17,18)9(14,15)16/h2-3H2,1H3,(H,19,20)
InChIKeyMHASMFSWZBTAOS-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.57
Rot. Bonds5

About 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine

3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine (PubChem CID 4213155) has the molecular formula C10H8F8N2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine
PubChem CID4213155
Molecular FormulaC10H8F8N2S
Molecular Weight340.24 g/mol
Exact Mass340.03
IUPAC Name3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C10H8F8N2S/c1-2-3-19-8-5(12)6(4(11)7(13)20-8)21-10(17,18)9(14,15)16/h2-3H2,1H3,(H,19,20)
InChIKeyMHASMFSWZBTAOS-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine (CID 4213155) is 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine is CCCNc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F.
What is the InChIKey of 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine?
The InChIKey is MHASMFSWZBTAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8N2S/c1-2-3-19-8-5(12)6(4(11)7(13)20-8)21-10(17,18)9(14,15)16/h2-3H2,1H3,(H,19,20).
What are the key properties of 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine?
3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine has a molecular weight of 340.24 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 4213155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).