[4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol

C8H6BrF3O3S — CID 71285874

IUPAC[4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1cc(CO)ccc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrF3O3S/c9-6-2-1-5(4-13)3-7(6)16(14,15)8(10,11)12/h1-3,13H,4H2
InChIKeyHUUGTZLYIWXUOF-UHFFFAOYSA-N
MW319.10 g/mol
LogP2.23
Rot. Bonds2

About [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol

[4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol (PubChem CID 71285874) has the molecular formula C8H6BrF3O3S and a molecular weight of 319.10 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol
PubChem CID71285874
Molecular FormulaC8H6BrF3O3S
Molecular Weight319.10 g/mol
Exact Mass317.92
IUPAC Name[4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1cc(CO)ccc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrF3O3S/c9-6-2-1-5(4-13)3-7(6)16(14,15)8(10,11)12/h1-3,13H,4H2
InChIKeyHUUGTZLYIWXUOF-UHFFFAOYSA-N
XLogP2.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol?
The IUPAC name of [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol (CID 71285874) is [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol.
What is the SMILES notation for [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol?
The canonical SMILES for [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol is O=S(=O)(c1cc(CO)ccc1Br)C(F)(F)F.
What is the InChIKey of [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol?
The InChIKey is HUUGTZLYIWXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O3S/c9-6-2-1-5(4-13)3-7(6)16(14,15)8(10,11)12/h1-3,13H,4H2.
What are the key properties of [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol?
[4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol has a molecular weight of 319.10 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethylsulfonyl)phenyl]methanol is sourced from PubChem (CID 71285874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).