4-(trifluoromethylsulfanyl)phenol

C7H5F3OS — CID 3815158

IUPAC4-(trifluoromethylsulfanyl)phenol
SMILESOc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyYYCPTWHVKSATQK-UHFFFAOYSA-N
MW194.18 g/mol
LogP3.00
Rot. Bonds1

About 4-(trifluoromethylsulfanyl)phenol

4-(trifluoromethylsulfanyl)phenol (PubChem CID 3815158) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 4-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name4-(trifluoromethylsulfanyl)phenol
PubChem CID3815158
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name4-(trifluoromethylsulfanyl)phenol
SMILESOc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyYYCPTWHVKSATQK-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 4-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 4-(trifluoromethylsulfanyl)phenol (CID 3815158) is 4-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 4-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 4-(trifluoromethylsulfanyl)phenol is Oc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethylsulfanyl)phenol?
The InChIKey is YYCPTWHVKSATQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H.
What are the key properties of 4-(trifluoromethylsulfanyl)phenol?
4-(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 4-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 3815158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).