2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine

C7H10F5NS — CID 73012479

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)SCC1CCCN1
InChIInChI=1S/C7H10F5NS/c8-6(9,10)7(11,12)14-4-5-2-1-3-13-5/h5,13H,1-4H2
InChIKeyAHLWNWSMOWSOBU-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.63
Rot. Bonds3

About 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine

2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine (PubChem CID 73012479) has the molecular formula C7H10F5NS and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine
PubChem CID73012479
Molecular FormulaC7H10F5NS
Molecular Weight235.22 g/mol
Exact Mass235.05
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)SCC1CCCN1
InChIInChI=1S/C7H10F5NS/c8-6(9,10)7(11,12)14-4-5-2-1-3-13-5/h5,13H,1-4H2
InChIKeyAHLWNWSMOWSOBU-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
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 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine (CID 73012479) is 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine is FC(F)(F)C(F)(F)SCC1CCCN1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine?
The InChIKey is AHLWNWSMOWSOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NS/c8-6(9,10)7(11,12)14-4-5-2-1-3-13-5/h5,13H,1-4H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine?
2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine has a molecular weight of 235.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 73012479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).