1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine

C6H8F3NO2S — CID 130660791

IUPAC1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(C(F)F)N1CCC=C(F)C1
InChIInChI=1S/C6H8F3NO2S/c7-5-2-1-3-10(4-5)13(11,12)6(8)9/h2,6H,1,3-4H2
InChIKeyVGQADEWPSQHOJW-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.10
Rot. Bonds2

About 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine

1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 130660791) has the molecular formula C6H8F3NO2S and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID130660791
Molecular FormulaC6H8F3NO2S
Molecular Weight215.20 g/mol
Exact Mass215.02
IUPAC Name1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(C(F)F)N1CCC=C(F)C1
InChIInChI=1S/C6H8F3NO2S/c7-5-2-1-3-10(4-5)13(11,12)6(8)9/h2,6H,1,3-4H2
InChIKeyVGQADEWPSQHOJW-UHFFFAOYSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine (CID 130660791) is 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine is O=S(=O)(C(F)F)N1CCC=C(F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is VGQADEWPSQHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2S/c7-5-2-1-3-10(4-5)13(11,12)6(8)9/h2,6H,1,3-4H2.
What are the key properties of 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine?
1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 215.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130660791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).