3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine

C8H15F2NS — CID 146621230

IUPAC3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSC(C)(C)N1CCC(F)(F)C1
InChIInChI=1S/C8H15F2NS/c1-7(2,12-3)11-5-4-8(9,10)6-11/h4-6H2,1-3H3
InChIKeyWYBDLZJUUBFGTE-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.43
Rot. Bonds2

About 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine

3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine (PubChem CID 146621230) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
PubChem CID146621230
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSC(C)(C)N1CCC(F)(F)C1
InChIInChI=1S/C8H15F2NS/c1-7(2,12-3)11-5-4-8(9,10)6-11/h4-6H2,1-3H3
InChIKeyWYBDLZJUUBFGTE-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine (CID 146621230) is 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine is CSC(C)(C)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
The InChIKey is WYBDLZJUUBFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-7(2,12-3)11-5-4-8(9,10)6-11/h4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine has a molecular weight of 195.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine is sourced from PubChem (CID 146621230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).