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

C11H10F4N2O3S — CID 168715104

IUPAC5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F4N2O3S/c12-11(13,14)7-1-2-8(16-4-7)5-17-6-9(3-10(17)18)21(15,19)20/h1-2,4,9H,3,5-6H2
InChIKeyQCEKKZHVHAZJOS-UHFFFAOYSA-N
MW326.27 g/mol
LogP1.50
Rot. Bonds3

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

5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168715104) has the molecular formula C11H10F4N2O3S and a molecular weight of 326.27 g/mol. Its IUPAC name is 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168715104
Molecular FormulaC11H10F4N2O3S
Molecular Weight326.27 g/mol
Exact Mass326.03
IUPAC Name5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H10F4N2O3S/c12-11(13,14)7-1-2-8(16-4-7)5-17-6-9(3-10(17)18)21(15,19)20/h1-2,4,9H,3,5-6H2
InChIKeyQCEKKZHVHAZJOS-UHFFFAOYSA-N
XLogP1.50
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 168700339
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714487
1-(2-isoquinolin-3-ylethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714909
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714947
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718294
1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715001
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714573
5-oxo-1-(2-quinoxalin-6-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714914
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride (CID 168715104) is 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is QCEKKZHVHAZJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O3S/c12-11(13,14)7-1-2-8(16-4-7)5-17-6-9(3-10(17)18)21(15,19)20/h1-2,4,9H,3,5-6H2.
What are the key properties of 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride has a molecular weight of 326.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).