[3-(trifluoromethylsulfonyl)phenyl]methanol

C8H7F3O3S — CID 54236490

IUPAC[3-(trifluoromethylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1cccc(CO)c1)C(F)(F)F
InChIInChI=1S/C8H7F3O3S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKeyWWMBYRXFWHZGDQ-UHFFFAOYSA-N
MW240.20 g/mol
LogP1.47
Rot. Bonds2

About [3-(trifluoromethylsulfonyl)phenyl]methanol

[3-(trifluoromethylsulfonyl)phenyl]methanol (PubChem CID 54236490) has the molecular formula C8H7F3O3S and a molecular weight of 240.20 g/mol. Its IUPAC name is [3-(trifluoromethylsulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethylsulfonyl)phenyl]methanol
PubChem CID54236490
Molecular FormulaC8H7F3O3S
Molecular Weight240.20 g/mol
Exact Mass240.01
IUPAC Name[3-(trifluoromethylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1cccc(CO)c1)C(F)(F)F
InChIInChI=1S/C8H7F3O3S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKeyWWMBYRXFWHZGDQ-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethylsulfonyl)phenyl]methanol?
The IUPAC name of [3-(trifluoromethylsulfonyl)phenyl]methanol (CID 54236490) is [3-(trifluoromethylsulfonyl)phenyl]methanol.
What is the SMILES notation for [3-(trifluoromethylsulfonyl)phenyl]methanol?
The canonical SMILES for [3-(trifluoromethylsulfonyl)phenyl]methanol is O=S(=O)(c1cccc(CO)c1)C(F)(F)F.
What is the InChIKey of [3-(trifluoromethylsulfonyl)phenyl]methanol?
The InChIKey is WWMBYRXFWHZGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2.
What are the key properties of [3-(trifluoromethylsulfonyl)phenyl]methanol?
[3-(trifluoromethylsulfonyl)phenyl]methanol has a molecular weight of 240.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethylsulfonyl)phenyl]methanol is sourced from PubChem (CID 54236490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).