3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine

C6H11F2NS — CID 135188379

IUPAC3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine
SMILESCSCN1CCC(F)(F)C1
InChIInChI=1S/C6H11F2NS/c1-10-5-9-3-2-6(7,8)4-9/h2-5H2,1H3
InChIKeyYSVILDHWDQKOFN-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.65
Rot. Bonds2

About 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine

3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine (PubChem CID 135188379) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine
PubChem CID135188379
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine
SMILESCSCN1CCC(F)(F)C1
InChIInChI=1S/C6H11F2NS/c1-10-5-9-3-2-6(7,8)4-9/h2-5H2,1H3
InChIKeyYSVILDHWDQKOFN-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.65
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-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine (CID 135188379) is 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine is CSCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is YSVILDHWDQKOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c1-10-5-9-3-2-6(7,8)4-9/h2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine?
3,3-difluoro-1-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 167.22 g/mol, XLogP of 1.65, 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-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 135188379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).