1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine

C14H18F3NOS — CID 23339101

IUPAC1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine
SMILESCN1CCCC1CCOc1ccccc1SC(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-18-9-4-5-11(18)8-10-19-12-6-2-3-7-13(12)20-14(15,16)17/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyCFPVVKULORZFFM-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.16
Rot. Bonds5

About 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine

1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine (PubChem CID 23339101) has the molecular formula C14H18F3NOS and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine
PubChem CID23339101
Molecular FormulaC14H18F3NOS
Molecular Weight305.36 g/mol
Exact Mass305.11
IUPAC Name1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine
SMILESCN1CCCC1CCOc1ccccc1SC(F)(F)F
InChIInChI=1S/C14H18F3NOS/c1-18-9-4-5-11(18)8-10-19-12-6-2-3-7-13(12)20-14(15,16)17/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyCFPVVKULORZFFM-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]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 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine (CID 23339101) is 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine is CN1CCCC1CCOc1ccccc1SC(F)(F)F.
What is the InChIKey of 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is CFPVVKULORZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-18-9-4-5-11(18)8-10-19-12-6-2-3-7-13(12)20-14(15,16)17/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine?
1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 305.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[2-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 23339101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).