2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol

C16H15F3O3S — CID 53381751

IUPAC2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O3S/c1-15(20,12-5-3-2-4-6-12)11-23(21,22)14-9-7-13(8-10-14)16(17,18)19/h2-10,20H,11H2,1H3
InChIKeyCFMYXPOBCYGVJU-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.39
Rot. Bonds4

About 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol

2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol (PubChem CID 53381751) has the molecular formula C16H15F3O3S and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
PubChem CID53381751
Molecular FormulaC16H15F3O3S
Molecular Weight344.35 g/mol
Exact Mass344.07
IUPAC Name2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O3S/c1-15(20,12-5-3-2-4-6-12)11-23(21,22)14-9-7-13(8-10-14)16(17,18)19/h2-10,20H,11H2,1H3
InChIKeyCFMYXPOBCYGVJU-UHFFFAOYSA-N
XLogP3.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-2-phenylpropan-2-ol
CID 1471130
1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
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(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
2-(4-chlorophenyl)sulfonyl-1,1-diphenylethanol
CID 1480392
1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322
hydrazine;sulfuric acid;trifluoromethylbenzene
CID 174887305
3-(4-tert-butylphenyl)sulfonyl-2-methoxy-2-phenylpropan-1-ol
CID 177419256
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
2-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 58198696
4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 106584831
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CID 106584879
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CID 3512423

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
The IUPAC name of 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol (CID 53381751) is 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol.
What is the SMILES notation for 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
The canonical SMILES for 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol is CC(O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
The InChIKey is CFMYXPOBCYGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O3S/c1-15(20,12-5-3-2-4-6-12)11-23(21,22)14-9-7-13(8-10-14)16(17,18)19/h2-10,20H,11H2,1H3.
What are the key properties of 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol?
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol has a molecular weight of 344.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol is sourced from PubChem (CID 53381751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).