3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one

C8H14FNOS — CID 156548273

IUPAC3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one
SMILESCSC1C(C)N(C)C(=O)C1(C)F
InChIInChI=1S/C8H14FNOS/c1-5-6(12-4)8(2,9)7(11)10(5)3/h5-6H,1-4H3
InChIKeyCUDUEGIPRFMAJM-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.31
Rot. Bonds1

About 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one

3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one (PubChem CID 156548273) has the molecular formula C8H14FNOS and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one
PubChem CID156548273
Molecular FormulaC8H14FNOS
Molecular Weight191.27 g/mol
Exact Mass191.08
IUPAC Name3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one
SMILESCSC1C(C)N(C)C(=O)C1(C)F
InChIInChI=1S/C8H14FNOS/c1-5-6(12-4)8(2,9)7(11)10(5)3/h5-6H,1-4H3
InChIKeyCUDUEGIPRFMAJM-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one (CID 156548273) is 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one is CSC1C(C)N(C)C(=O)C1(C)F.
What is the InChIKey of 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one?
The InChIKey is CUDUEGIPRFMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNOS/c1-5-6(12-4)8(2,9)7(11)10(5)3/h5-6H,1-4H3.
What are the key properties of 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one?
3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,3,5-trimethyl-4-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 156548273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).