1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C9H16F3NOS — CID 104531020

IUPAC1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)C1CCCO1
InChIInChI=1S/C9H16F3NOS/c1-7(8-3-2-5-14-8)13-4-6-15-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyPDYOOZFXVHKCTK-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.40
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 104531020) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID104531020
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)C1CCCO1
InChIInChI=1S/C9H16F3NOS/c1-7(8-3-2-5-14-8)13-4-6-15-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyPDYOOZFXVHKCTK-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine 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-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 104531020) is 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CC(NCCSC(F)(F)F)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is PDYOOZFXVHKCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7(8-3-2-5-14-8)13-4-6-15-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 243.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 104531020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).