1-(2,2-difluoroethyl)pyridine-4-thione

C7H7F2NS — CID 19867526

IUPAC1-(2,2-difluoroethyl)pyridine-4-thione
SMILESFC(F)Cn1ccc(=S)cc1
InChIInChI=1S/C7H7F2NS/c8-7(9)5-10-3-1-6(11)2-4-10/h1-4,7H,5H2
InChIKeyJHGOQMQXVHWCCW-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.48
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyridine-4-thione

1-(2,2-difluoroethyl)pyridine-4-thione (PubChem CID 19867526) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyridine-4-thione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyridine-4-thione
PubChem CID19867526
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC Name1-(2,2-difluoroethyl)pyridine-4-thione
SMILESFC(F)Cn1ccc(=S)cc1
InChIInChI=1S/C7H7F2NS/c8-7(9)5-10-3-1-6(11)2-4-10/h1-4,7H,5H2
InChIKeyJHGOQMQXVHWCCW-UHFFFAOYSA-N
XLogP2.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyridine-4-thione?
The IUPAC name of 1-(2,2-difluoroethyl)pyridine-4-thione (CID 19867526) is 1-(2,2-difluoroethyl)pyridine-4-thione.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyridine-4-thione?
The canonical SMILES for 1-(2,2-difluoroethyl)pyridine-4-thione is FC(F)Cn1ccc(=S)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyridine-4-thione?
The InChIKey is JHGOQMQXVHWCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c8-7(9)5-10-3-1-6(11)2-4-10/h1-4,7H,5H2.
What are the key properties of 1-(2,2-difluoroethyl)pyridine-4-thione?
1-(2,2-difluoroethyl)pyridine-4-thione has a molecular weight of 175.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyridine-4-thione is sourced from PubChem (CID 19867526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).