(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine

C10H18F3NS — CID 144798199

IUPAC(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
SMILESFC(F)(F)CCCSCC[C@H]1CCCN1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)5-2-7-15-8-4-9-3-1-6-14-9/h9,14H,1-8H2/t9-/m1/s1
InChIKeyJLRCPLYTPNMAON-SECBINFHSA-N
MW241.32 g/mol
LogP3.20
Rot. Bonds6

About (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine

(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine (PubChem CID 144798199) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
PubChem CID144798199
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
SMILESFC(F)(F)CCCSCC[C@H]1CCCN1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)5-2-7-15-8-4-9-3-1-6-14-9/h9,14H,1-8H2/t9-/m1/s1
InChIKeyJLRCPLYTPNMAON-SECBINFHSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]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 (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine?
The IUPAC name of (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine (CID 144798199) is (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine is FC(F)(F)CCCSCC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine?
The InChIKey is JLRCPLYTPNMAON-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)5-2-7-15-8-4-9-3-1-6-14-9/h9,14H,1-8H2/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine?
(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine has a molecular weight of 241.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine is sourced from PubChem (CID 144798199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).