2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine

C7F9NS — CID 14930920

IUPAC2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
SMILESFc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C7F9NS/c8-1-3(2(9)5(11)17-4(1)10)18-7(15,16)6(12,13)14
InChIKeyNFHDSQVNRSFHMC-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.89
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine

2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine (PubChem CID 14930920) has the molecular formula C7F9NS and a molecular weight of 301.13 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
PubChem CID14930920
Molecular FormulaC7F9NS
Molecular Weight301.13 g/mol
Exact Mass300.96
IUPAC Name2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
SMILESFc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F
InChIInChI=1S/C7F9NS/c8-1-3(2(9)5(11)17-4(1)10)18-7(15,16)6(12,13)14
InChIKeyNFHDSQVNRSFHMC-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine
CID 171106738
2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethyl)pyridine
CID 15063668
4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
CID 11579507
4-tert-butyl-2,3,5,6-tetrafluoropyridine
CID 59773413
2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine
CID 139264129
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)tellanyl]pyridine
CID 139100618
2-amino-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]propanoic acid
CID 22001835
3-chloro-2,5,6-trifluoro-4-[(2,4,5,6-tetrafluoro-3-pyridinyl)sulfanylmethylsulfanyl]pyridine
CID 126709818
4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine
CID 163418712
2,3,6-trifluoro-4,5-dimethylpyridine
CID 20792086
2,2,2-trifluoro-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 169302963
4,5,6,7-tetrachloro-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]isoindole-1,3-dione
CID 3587841

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine (CID 14930920) is 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine is Fc1nc(F)c(F)c(SC(F)(F)C(F)(F)F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
The InChIKey is NFHDSQVNRSFHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F9NS/c8-1-3(2(9)5(11)17-4(1)10)18-7(15,16)6(12,13)14.
What are the key properties of 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine?
2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine has a molecular weight of 301.13 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine is sourced from PubChem (CID 14930920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).