2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol

C8H6F4OS — CID 164893361

IUPAC2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol
SMILESCSc1ccc(C(F)(F)F)c(O)c1F
InChIInChI=1S/C8H6F4OS/c1-14-5-3-2-4(8(10,11)12)7(13)6(5)9/h2-3,13H,1H3
InChIKeyGVEMEYRMNUHXBR-UHFFFAOYSA-N
MW226.19 g/mol
LogP3.27
Rot. Bonds1

About 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol

2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol (PubChem CID 164893361) has the molecular formula C8H6F4OS and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol
PubChem CID164893361
Molecular FormulaC8H6F4OS
Molecular Weight226.19 g/mol
Exact Mass226.01
IUPAC Name2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol
SMILESCSc1ccc(C(F)(F)F)c(O)c1F
InChIInChI=1S/C8H6F4OS/c1-14-5-3-2-4(8(10,11)12)7(13)6(5)9/h2-3,13H,1H3
InChIKeyGVEMEYRMNUHXBR-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol?
The IUPAC name of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol (CID 164893361) is 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol is CSc1ccc(C(F)(F)F)c(O)c1F.
What is the InChIKey of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol?
The InChIKey is GVEMEYRMNUHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4OS/c1-14-5-3-2-4(8(10,11)12)7(13)6(5)9/h2-3,13H,1H3.
What are the key properties of 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol?
2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol has a molecular weight of 226.19 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylsulfanyl-6-(trifluoromethyl)phenol is sourced from PubChem (CID 164893361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).