1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol

C18H19F3O3S — CID 52945262

IUPAC1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol
SMILESCC(C)c1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C18H19F3O3S/c1-12(2)15-6-4-5-7-16(15)25(23,24)14-10-8-13(9-11-14)17(3,22)18(19,20)21/h4-12,22H,1-3H3
InChIKeyWDMJNZFTFJQXQP-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.41
Rot. Bonds4

About 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol

1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol (PubChem CID 52945262) has the molecular formula C18H19F3O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol
PubChem CID52945262
Molecular FormulaC18H19F3O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol
SMILESCC(C)c1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C18H19F3O3S/c1-12(2)15-6-4-5-7-16(15)25(23,24)14-10-8-13(9-11-14)17(3,22)18(19,20)21/h4-12,22H,1-3H3
InChIKeyWDMJNZFTFJQXQP-UHFFFAOYSA-N
XLogP4.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol (CID 52945262) is 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol is CC(C)c1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol?
The InChIKey is WDMJNZFTFJQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O3S/c1-12(2)15-6-4-5-7-16(15)25(23,24)14-10-8-13(9-11-14)17(3,22)18(19,20)21/h4-12,22H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol has a molecular weight of 372.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[4-(2-propan-2-ylphenyl)sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 52945262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).