1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine

C7H10F5NS — CID 130143325

IUPAC1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
SMILESCN1CCCC1SC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NS/c1-13-4-2-3-5(13)14-7(11,12)6(8,9)10/h5H,2-4H2,1H3
InChIKeyRWIBXQPJZDVIOM-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.93
Rot. Bonds2

About 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine

1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine (PubChem CID 130143325) has the molecular formula C7H10F5NS and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
PubChem CID130143325
Molecular FormulaC7H10F5NS
Molecular Weight235.22 g/mol
Exact Mass235.05
IUPAC Name1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
SMILESCN1CCCC1SC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NS/c1-13-4-2-3-5(13)14-7(11,12)6(8,9)10/h5H,2-4H2,1H3
InChIKeyRWIBXQPJZDVIOM-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine (CID 130143325) is 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine is CN1CCCC1SC(F)(F)C(F)(F)F.
What is the InChIKey of 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
The InChIKey is RWIBXQPJZDVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NS/c1-13-4-2-3-5(13)14-7(11,12)6(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine has a molecular weight of 235.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine is sourced from PubChem (CID 130143325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).