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

C16H15F3O3S — CID 11515715

IUPAC1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol
SMILESCc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O3S/c1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19/h3-10,20H,1-2H3
InChIKeyKSIDACILJMPROB-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.60
Rot. Bonds3

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

1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol (PubChem CID 11515715) has the molecular formula C16H15F3O3S and a molecular weight of 344.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol
PubChem CID11515715
Molecular FormulaC16H15F3O3S
Molecular Weight344.35 g/mol
Exact Mass344.07
IUPAC Name1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol
SMILESCc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O3S/c1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19/h3-10,20H,1-2H3
InChIKeyKSIDACILJMPROB-UHFFFAOYSA-N
XLogP3.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.60
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-methylphenyl)sulfonylphenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol (CID 11515715) is 1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol is Cc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol?
The InChIKey is KSIDACILJMPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O3S/c1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19/h3-10,20H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol has a molecular weight of 344.35 g/mol, XLogP of 3.60, 3 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-methylphenyl)sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 11515715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).