3-(trifluoromethylsulfanyl)phenol

C7H5F3OS — CID 2777892

IUPAC3-(trifluoromethylsulfanyl)phenol
SMILESOc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKeyFRSIRCKEPOPEFZ-UHFFFAOYSA-N
MW194.18 g/mol
LogP3.00
Rot. Bonds1

About 3-(trifluoromethylsulfanyl)phenol

3-(trifluoromethylsulfanyl)phenol (PubChem CID 2777892) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name3-(trifluoromethylsulfanyl)phenol
PubChem CID2777892
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name3-(trifluoromethylsulfanyl)phenol
SMILESOc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKeyFRSIRCKEPOPEFZ-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 3-(trifluoromethylsulfanyl)phenol (CID 2777892) is 3-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 3-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 3-(trifluoromethylsulfanyl)phenol is Oc1cccc(SC(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethylsulfanyl)phenol?
The InChIKey is FRSIRCKEPOPEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H.
What are the key properties of 3-(trifluoromethylsulfanyl)phenol?
3-(trifluoromethylsulfanyl)phenol has a molecular weight of 194.18 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 2777892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).