2,6-dibromo-4-(trifluoromethylsulfonyl)phenol

C7H3Br2F3O3S — CID 75406359

IUPAC2,6-dibromo-4-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1cc(Br)c(O)c(Br)c1)C(F)(F)F
InChIInChI=1S/C7H3Br2F3O3S/c8-4-1-3(2-5(9)6(4)13)16(14,15)7(10,11)12/h1-2,13H
InChIKeyLRXOBNZRJNFHRO-UHFFFAOYSA-N
MW383.97 g/mol
LogP3.21
Rot. Bonds1

About 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol

2,6-dibromo-4-(trifluoromethylsulfonyl)phenol (PubChem CID 75406359) has the molecular formula C7H3Br2F3O3S and a molecular weight of 383.97 g/mol. Its IUPAC name is 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(trifluoromethylsulfonyl)phenol
PubChem CID75406359
Molecular FormulaC7H3Br2F3O3S
Molecular Weight383.97 g/mol
Exact Mass381.81
IUPAC Name2,6-dibromo-4-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1cc(Br)c(O)c(Br)c1)C(F)(F)F
InChIInChI=1S/C7H3Br2F3O3S/c8-4-1-3(2-5(9)6(4)13)16(14,15)7(10,11)12/h1-2,13H
InChIKeyLRXOBNZRJNFHRO-UHFFFAOYSA-N
XLogP3.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol?
The IUPAC name of 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol (CID 75406359) is 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol?
The canonical SMILES for 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol is O=S(=O)(c1cc(Br)c(O)c(Br)c1)C(F)(F)F.
What is the InChIKey of 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol?
The InChIKey is LRXOBNZRJNFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F3O3S/c8-4-1-3(2-5(9)6(4)13)16(14,15)7(10,11)12/h1-2,13H.
What are the key properties of 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol?
2,6-dibromo-4-(trifluoromethylsulfonyl)phenol has a molecular weight of 383.97 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(trifluoromethylsulfonyl)phenol is sourced from PubChem (CID 75406359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).