5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

C8H16F3NOS — CID 106131797

IUPAC5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCC(O)CCCNCCSC(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(13)3-2-4-12-5-6-14-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyVEADFVWDVXOXMI-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.99
Rot. Bonds7

About 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol

5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (PubChem CID 106131797) has the molecular formula C8H16F3NOS and a molecular weight of 231.28 g/mol. Its IUPAC name is 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
PubChem CID106131797
Molecular FormulaC8H16F3NOS
Molecular Weight231.28 g/mol
Exact Mass231.09
IUPAC Name5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
SMILESCC(O)CCCNCCSC(F)(F)F
InChIInChI=1S/C8H16F3NOS/c1-7(13)3-2-4-12-5-6-14-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyVEADFVWDVXOXMI-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol 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 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The IUPAC name of 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol (CID 106131797) is 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The canonical SMILES for 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is CC(O)CCCNCCSC(F)(F)F.
What is the InChIKey of 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
The InChIKey is VEADFVWDVXOXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOS/c1-7(13)3-2-4-12-5-6-14-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol?
5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol has a molecular weight of 231.28 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 106131797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).