3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol

C6H4F6OS — CID 140521626

IUPAC3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol
SMILESOc1cccc(F)c1S(F)(F)(F)(F)F
InChIInChI=1S/C6H4F6OS/c7-4-2-1-3-5(13)6(4)14(8,9,10,11)12/h1-3,13H
InChIKeySAJFZDJKFXFRFW-UHFFFAOYSA-N
MW238.15 g/mol
LogP4.19
Rot. Bonds1

About 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol

3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol (PubChem CID 140521626) has the molecular formula C6H4F6OS and a molecular weight of 238.15 g/mol. Its IUPAC name is 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol
PubChem CID140521626
Molecular FormulaC6H4F6OS
Molecular Weight238.15 g/mol
Exact Mass237.99
IUPAC Name3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol
SMILESOc1cccc(F)c1S(F)(F)(F)(F)F
InChIInChI=1S/C6H4F6OS/c7-4-2-1-3-5(13)6(4)14(8,9,10,11)12/h1-3,13H
InChIKeySAJFZDJKFXFRFW-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluorophenol
CID 9732
Phenol, o-mercapto-(6CI,7CI,8CI)
CID 70718
2-Fluorophenol
CID 9707
3,5-Difluorophenol
CID 75928
3-Fluorophenol
CID 9743
2,6-Difluorophenol
CID 94392
3,4-Difluorophenol
CID 75927
3,4,5-Trifluorophenol
CID 2777943
2,5-Difluorophenol
CID 94952
2,3-Difluorophenol
CID 80879
2,4-Difluorophenol
CID 123051
2,3,4-Trifluorophenol
CID 123174

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol?
The IUPAC name of 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol (CID 140521626) is 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol.
What is the SMILES notation for 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol?
The canonical SMILES for 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol is Oc1cccc(F)c1S(F)(F)(F)(F)F.
What is the InChIKey of 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol?
The InChIKey is SAJFZDJKFXFRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6OS/c7-4-2-1-3-5(13)6(4)14(8,9,10,11)12/h1-3,13H.
What are the key properties of 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol?
3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol has a molecular weight of 238.15 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(pentafluoro-λ6-sulfanyl)phenol is sourced from PubChem (CID 140521626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).