1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine

C6H10FNO2S — CID 139894069

IUPAC1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(CF)N1CC=CCC1
InChIInChI=1S/C6H10FNO2S/c7-6-11(9,10)8-4-2-1-3-5-8/h1-2H,3-6H2
InChIKeySPCWYQIOGKGNMU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.51
Rot. Bonds2

About 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine

1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine (PubChem CID 139894069) has the molecular formula C6H10FNO2S and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine
PubChem CID139894069
Molecular FormulaC6H10FNO2S
Molecular Weight179.22 g/mol
Exact Mass179.04
IUPAC Name1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(CF)N1CC=CCC1
InChIInChI=1S/C6H10FNO2S/c7-6-11(9,10)8-4-2-1-3-5-8/h1-2H,3-6H2
InChIKeySPCWYQIOGKGNMU-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine (CID 139894069) is 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine is O=S(=O)(CF)N1CC=CCC1.
What is the InChIKey of 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SPCWYQIOGKGNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2S/c7-6-11(9,10)8-4-2-1-3-5-8/h1-2H,3-6H2.
What are the key properties of 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine?
1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine has a molecular weight of 179.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfonyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 139894069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).