4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine

C7H4F5NS — CID 11579507

IUPAC4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
SMILESFC(F)(F)C(F)(F)Sc1ccncc1
InChIInChI=1S/C7H4F5NS/c8-6(9,10)7(11,12)14-5-1-3-13-4-2-5/h1-4H
InChIKeyJBJORTQVCZPUMV-UHFFFAOYSA-N
MW229.17 g/mol
LogP3.33
Rot. Bonds2

About 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine

4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine (PubChem CID 11579507) has the molecular formula C7H4F5NS and a molecular weight of 229.17 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
PubChem CID11579507
Molecular FormulaC7H4F5NS
Molecular Weight229.17 g/mol
Exact Mass229.00
IUPAC Name4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
SMILESFC(F)(F)C(F)(F)Sc1ccncc1
InChIInChI=1S/C7H4F5NS/c8-6(9,10)7(11,12)14-5-1-3-13-4-2-5/h1-4H
InChIKeyJBJORTQVCZPUMV-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)aniline
CID 102393330
1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfanyl)benzene
CID 156635411
N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
CID 162538856
4-(3-methylhexan-3-ylsulfanyl)pyridine
CID 130456725
(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene
CID 12780693
1,3-dibromo-5-(1,1,2,2,2-pentafluoroethylsulfanyl)benzene
CID 91360120
3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5-(2-pyridin-4-ylpropan-2-yl)imidazolidine-2,4-dione
CID 140525134
3-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 59694265
magnesium;trifluoromethylsulfanylbenzene;chloride
CID 150426233
1-(2-bromo-1,1,2,2-tetrafluoroethyl)sulfanyl-4-methylbenzene
CID 12780692
acetic acid;4-(trifluoromethyl)pyridine;hydrobromide
CID 174739301
4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
CID 159237641

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
The IUPAC name of 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine (CID 11579507) is 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine.
What is the SMILES notation for 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
The canonical SMILES for 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine is FC(F)(F)C(F)(F)Sc1ccncc1.
What is the InChIKey of 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
The InChIKey is JBJORTQVCZPUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NS/c8-6(9,10)7(11,12)14-5-1-3-13-4-2-5/h1-4H.
What are the key properties of 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine has a molecular weight of 229.17 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine is sourced from PubChem (CID 11579507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).