5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol

C7H3BrF4OS — CID 130882156

IUPAC5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol
SMILESOc1cc(Br)c(F)cc1SC(F)(F)F
InChIInChI=1S/C7H3BrF4OS/c8-3-1-5(13)6(2-4(3)9)14-7(10,11)12/h1-2,13H
InChIKeyXXORXTMHSIMXGE-UHFFFAOYSA-N
MW291.06 g/mol
LogP3.91
Rot. Bonds1

About 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol

5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol (PubChem CID 130882156) has the molecular formula C7H3BrF4OS and a molecular weight of 291.06 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol
PubChem CID130882156
Molecular FormulaC7H3BrF4OS
Molecular Weight291.06 g/mol
Exact Mass289.90
IUPAC Name5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol
SMILESOc1cc(Br)c(F)cc1SC(F)(F)F
InChIInChI=1S/C7H3BrF4OS/c8-3-1-5(13)6(2-4(3)9)14-7(10,11)12/h1-2,13H
InChIKeyXXORXTMHSIMXGE-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.06
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dibromo-2,3-difluoro-5-(trifluoromethylsulfanyl)benzene
CID 134615622
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene
CID 118805699
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
2-(trifluoromethylsulfanyl)phenol
CID 10176507
1-bromo-4,5-bis(trifluoromethyl)-2-(trifluoromethylsulfanyl)benzene
CID 118818409
1-bromo-2,4-bis(trifluoromethyl)-5-(trifluoromethylsulfanyl)benzene
CID 134617845
1,2-dibromo-4,5-difluoro-3-(trifluoromethylsulfanyl)benzene
CID 166641379
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
2-(4-bromo-5-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793433
6-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)aniline
CID 59638647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol (CID 130882156) is 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol is Oc1cc(Br)c(F)cc1SC(F)(F)F.
What is the InChIKey of 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol?
The InChIKey is XXORXTMHSIMXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4OS/c8-3-1-5(13)6(2-4(3)9)14-7(10,11)12/h1-2,13H.
What are the key properties of 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol?
5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol has a molecular weight of 291.06 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 130882156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).