1-(1,3-difluoropropan-2-yl)pyridine-4-thione

C8H9F2NS — CID 71333985

IUPAC1-(1,3-difluoropropan-2-yl)pyridine-4-thione
SMILESFCC(CF)n1ccc(=S)cc1
InChIInChI=1S/C8H9F2NS/c9-5-7(6-10)11-3-1-8(12)2-4-11/h1-4,7H,5-6H2
InChIKeyPQLMBANGPQADHD-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.70
Rot. Bonds3

About 1-(1,3-difluoropropan-2-yl)pyridine-4-thione

1-(1,3-difluoropropan-2-yl)pyridine-4-thione (PubChem CID 71333985) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(1,3-difluoropropan-2-yl)pyridine-4-thione.

Molecular Properties

Compound Name1-(1,3-difluoropropan-2-yl)pyridine-4-thione
PubChem CID71333985
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name1-(1,3-difluoropropan-2-yl)pyridine-4-thione
SMILESFCC(CF)n1ccc(=S)cc1
InChIInChI=1S/C8H9F2NS/c9-5-7(6-10)11-3-1-8(12)2-4-11/h1-4,7H,5-6H2
InChIKeyPQLMBANGPQADHD-UHFFFAOYSA-N
XLogP2.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.70
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-(1,3-difluoropropan-2-yl)pyridine-4-thione?
The IUPAC name of 1-(1,3-difluoropropan-2-yl)pyridine-4-thione (CID 71333985) is 1-(1,3-difluoropropan-2-yl)pyridine-4-thione.
What is the SMILES notation for 1-(1,3-difluoropropan-2-yl)pyridine-4-thione?
The canonical SMILES for 1-(1,3-difluoropropan-2-yl)pyridine-4-thione is FCC(CF)n1ccc(=S)cc1.
What is the InChIKey of 1-(1,3-difluoropropan-2-yl)pyridine-4-thione?
The InChIKey is PQLMBANGPQADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c9-5-7(6-10)11-3-1-8(12)2-4-11/h1-4,7H,5-6H2.
What are the key properties of 1-(1,3-difluoropropan-2-yl)pyridine-4-thione?
1-(1,3-difluoropropan-2-yl)pyridine-4-thione has a molecular weight of 189.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-difluoropropan-2-yl)pyridine-4-thione is sourced from PubChem (CID 71333985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).