4-(trifluoromethylsulfinyl)phenol

C7H5F3O2S — CID 21200940

IUPAC4-(trifluoromethylsulfinyl)phenol
SMILESO=S(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)13(12)6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyLKIJQCQQQLZUOW-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.02
Rot. Bonds1

About 4-(trifluoromethylsulfinyl)phenol

4-(trifluoromethylsulfinyl)phenol (PubChem CID 21200940) has the molecular formula C7H5F3O2S and a molecular weight of 210.18 g/mol. Its IUPAC name is 4-(trifluoromethylsulfinyl)phenol.

Molecular Properties

Compound Name4-(trifluoromethylsulfinyl)phenol
PubChem CID21200940
Molecular FormulaC7H5F3O2S
Molecular Weight210.18 g/mol
Exact Mass210.00
IUPAC Name4-(trifluoromethylsulfinyl)phenol
SMILESO=S(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2S/c8-7(9,10)13(12)6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyLKIJQCQQQLZUOW-UHFFFAOYSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethylsulfinyl)phenol 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 4-(trifluoromethylsulfinyl)phenol?
The IUPAC name of 4-(trifluoromethylsulfinyl)phenol (CID 21200940) is 4-(trifluoromethylsulfinyl)phenol.
What is the SMILES notation for 4-(trifluoromethylsulfinyl)phenol?
The canonical SMILES for 4-(trifluoromethylsulfinyl)phenol is O=S(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfinyl)phenol?
The InChIKey is LKIJQCQQQLZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S/c8-7(9,10)13(12)6-3-1-5(11)2-4-6/h1-4,11H.
What are the key properties of 4-(trifluoromethylsulfinyl)phenol?
4-(trifluoromethylsulfinyl)phenol has a molecular weight of 210.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfinyl)phenol is sourced from PubChem (CID 21200940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).