(3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride

C7H12FNO3S — CID 131492641

IUPAC(3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCC1CNC(=O)C1(C)CS(=O)(=O)F
InChIInChI=1S/C7H12FNO3S/c1-5-3-9-6(10)7(5,2)4-13(8,11)12/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyHQWUPHGGDCFDDG-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.06
Rot. Bonds2

About (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride

(3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 131492641) has the molecular formula C7H12FNO3S and a molecular weight of 209.24 g/mol. Its IUPAC name is (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID131492641
Molecular FormulaC7H12FNO3S
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name(3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCC1CNC(=O)C1(C)CS(=O)(=O)F
InChIInChI=1S/C7H12FNO3S/c1-5-3-9-6(10)7(5,2)4-13(8,11)12/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyHQWUPHGGDCFDDG-UHFFFAOYSA-N
XLogP0.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride (CID 131492641) is (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride is CC1CNC(=O)C1(C)CS(=O)(=O)F.
What is the InChIKey of (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is HQWUPHGGDCFDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO3S/c1-5-3-9-6(10)7(5,2)4-13(8,11)12/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
(3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 209.24 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 131492641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).