5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride

C10H8F4N2O3S — CID 168716040

IUPAC5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H8F4N2O3S/c11-10(12,13)7-2-1-3-8(15-7)16-5-6(4-9(16)17)20(14,18)19/h1-3,6H,4-5H2
InChIKeyMCRJJFLHJSDAIZ-UHFFFAOYSA-N
MW312.24 g/mol
LogP1.50
Rot. Bonds2

About 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride

5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168716040) has the molecular formula C10H8F4N2O3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168716040
Molecular FormulaC10H8F4N2O3S
Molecular Weight312.24 g/mol
Exact Mass312.02
IUPAC Name5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H8F4N2O3S/c11-10(12,13)7-2-1-3-8(15-7)16-5-6(4-9(16)17)20(14,18)19/h1-3,6H,4-5H2
InChIKeyMCRJJFLHJSDAIZ-UHFFFAOYSA-N
XLogP1.50
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride (CID 168716040) is 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is MCRJJFLHJSDAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O3S/c11-10(12,13)7-2-1-3-8(15-7)16-5-6(4-9(16)17)20(14,18)19/h1-3,6H,4-5H2.
What are the key properties of 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride has a molecular weight of 312.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).