7-(trifluoromethylsulfanyloxy)naphthalen-2-ol

C11H7F3O2S — CID 162552140

IUPAC7-(trifluoromethylsulfanyloxy)naphthalen-2-ol
SMILESOc1ccc2ccc(OSC(F)(F)F)cc2c1
InChIInChI=1S/C11H7F3O2S/c12-11(13,14)17-16-10-4-2-7-1-3-9(15)5-8(7)6-10/h1-6,15H
InChIKeyNOBFQWUWYIWFSK-UHFFFAOYSA-N
MW260.24 g/mol
LogP4.09
Rot. Bonds2

About 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol

7-(trifluoromethylsulfanyloxy)naphthalen-2-ol (PubChem CID 162552140) has the molecular formula C11H7F3O2S and a molecular weight of 260.24 g/mol. Its IUPAC name is 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol.

Molecular Properties

Compound Name7-(trifluoromethylsulfanyloxy)naphthalen-2-ol
PubChem CID162552140
Molecular FormulaC11H7F3O2S
Molecular Weight260.24 g/mol
Exact Mass260.01
IUPAC Name7-(trifluoromethylsulfanyloxy)naphthalen-2-ol
SMILESOc1ccc2ccc(OSC(F)(F)F)cc2c1
InChIInChI=1S/C11H7F3O2S/c12-11(13,14)17-16-10-4-2-7-1-3-9(15)5-8(7)6-10/h1-6,15H
InChIKeyNOBFQWUWYIWFSK-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol?
The IUPAC name of 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol (CID 162552140) is 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol.
What is the SMILES notation for 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol?
The canonical SMILES for 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol is Oc1ccc2ccc(OSC(F)(F)F)cc2c1.
What is the InChIKey of 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol?
The InChIKey is NOBFQWUWYIWFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2S/c12-11(13,14)17-16-10-4-2-7-1-3-9(15)5-8(7)6-10/h1-6,15H.
What are the key properties of 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol?
7-(trifluoromethylsulfanyloxy)naphthalen-2-ol has a molecular weight of 260.24 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethylsulfanyloxy)naphthalen-2-ol is sourced from PubChem (CID 162552140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).