(2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine

C10H16F5NS — CID 57069197

IUPAC(2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCSC[C@@H]1CCCN1
InChIInChI=1S/C10H16F5NS/c11-9(12,10(13,14)15)4-2-6-17-7-8-3-1-5-16-8/h8,16H,1-7H2/t8-/m0/s1
InChIKeyPCCWBPBISLLZHG-QMMMGPOBSA-N
MW277.30 g/mol
LogP3.45
Rot. Bonds6

About (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine

(2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine (PubChem CID 57069197) has the molecular formula C10H16F5NS and a molecular weight of 277.30 g/mol. Its IUPAC name is (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
PubChem CID57069197
Molecular FormulaC10H16F5NS
Molecular Weight277.30 g/mol
Exact Mass277.09
IUPAC Name(2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCSC[C@@H]1CCCN1
InChIInChI=1S/C10H16F5NS/c11-9(12,10(13,14)15)4-2-6-17-7-8-3-1-5-16-8/h8,16H,1-7H2/t8-/m0/s1
InChIKeyPCCWBPBISLLZHG-QMMMGPOBSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
The IUPAC name of (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine (CID 57069197) is (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine is FC(F)(F)C(F)(F)CCCSC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
The InChIKey is PCCWBPBISLLZHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16F5NS/c11-9(12,10(13,14)15)4-2-6-17-7-8-3-1-5-16-8/h8,16H,1-7H2/t8-/m0/s1.
What are the key properties of (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
(2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine has a molecular weight of 277.30 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 57069197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).