7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol

C13H11F3O2S — CID 116616550

IUPAC7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol
SMILESOc1ccc2ccc(OCCSC(F)(F)F)cc2c1
InChIInChI=1S/C13H11F3O2S/c14-13(15,16)19-6-5-18-12-4-2-9-1-3-11(17)7-10(9)8-12/h1-4,7-8,17H,5-6H2
InChIKeyRPVPZELGORQHJX-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.18
Rot. Bonds4

About 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol

7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol (PubChem CID 116616550) has the molecular formula C13H11F3O2S and a molecular weight of 288.29 g/mol. Its IUPAC name is 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol.

Molecular Properties

Compound Name7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol
PubChem CID116616550
Molecular FormulaC13H11F3O2S
Molecular Weight288.29 g/mol
Exact Mass288.04
IUPAC Name7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol
SMILESOc1ccc2ccc(OCCSC(F)(F)F)cc2c1
InChIInChI=1S/C13H11F3O2S/c14-13(15,16)19-6-5-18-12-4-2-9-1-3-11(17)7-10(9)8-12/h1-4,7-8,17H,5-6H2
InChIKeyRPVPZELGORQHJX-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-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 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol?
The IUPAC name of 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol (CID 116616550) is 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol.
What is the SMILES notation for 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol?
The canonical SMILES for 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol is Oc1ccc2ccc(OCCSC(F)(F)F)cc2c1.
What is the InChIKey of 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol?
The InChIKey is RPVPZELGORQHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2S/c14-13(15,16)19-6-5-18-12-4-2-9-1-3-11(17)7-10(9)8-12/h1-4,7-8,17H,5-6H2.
What are the key properties of 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol?
7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol has a molecular weight of 288.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol is sourced from PubChem (CID 116616550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).