3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine

C7H13F2NS — CID 162610422

IUPAC3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine
SMILESCSCCN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NS/c1-11-5-4-10-3-2-7(8,9)6-10/h2-6H2,1H3
InChIKeyFBJSVPTZHCCIAT-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.69
Rot. Bonds3

About 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine

3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine (PubChem CID 162610422) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine
PubChem CID162610422
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine
SMILESCSCCN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NS/c1-11-5-4-10-3-2-7(8,9)6-10/h2-6H2,1H3
InChIKeyFBJSVPTZHCCIAT-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.69
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-methylsulfanylethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine (CID 162610422) is 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine is CSCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine?
The InChIKey is FBJSVPTZHCCIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c1-11-5-4-10-3-2-7(8,9)6-10/h2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine?
3,3-difluoro-1-(2-methylsulfanylethyl)pyrrolidine has a molecular weight of 181.25 g/mol, XLogP of 1.69, 3 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-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 162610422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).