5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione

C7H4F5NS — CID 75406426

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)C(F)(F)c1ccc(=S)[nH]c1
InChIInChI=1S/C7H4F5NS/c8-6(9,7(10,11)12)4-1-2-5(14)13-3-4/h1-3H,(H,13,14)
InChIKeyWGBBPSYUNXBVFC-UHFFFAOYSA-N
MW229.17 g/mol
LogP3.40
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione

5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione (PubChem CID 75406426) has the molecular formula C7H4F5NS and a molecular weight of 229.17 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione
PubChem CID75406426
Molecular FormulaC7H4F5NS
Molecular Weight229.17 g/mol
Exact Mass229.00
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)C(F)(F)c1ccc(=S)[nH]c1
InChIInChI=1S/C7H4F5NS/c8-6(9,7(10,11)12)4-1-2-5(14)13-3-4/h1-3H,(H,13,14)
InChIKeyWGBBPSYUNXBVFC-UHFFFAOYSA-N
XLogP3.40
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione (CID 75406426) is 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione is FC(F)(F)C(F)(F)c1ccc(=S)[nH]c1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione?
The InChIKey is WGBBPSYUNXBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NS/c8-6(9,7(10,11)12)4-1-2-5(14)13-3-4/h1-3H,(H,13,14).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione?
5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione has a molecular weight of 229.17 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 75406426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).