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

C15H12F4O3S — CID 52942397

IUPAC1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C15H12F4O3S/c1-14(20,15(17,18)19)10-2-6-12(7-3-10)23(21,22)13-8-4-11(16)5-9-13/h2-9,20H,1H3
InChIKeyJKJZGYCRJXNWCU-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.43
Rot. Bonds3

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

1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol (PubChem CID 52942397) has the molecular formula C15H12F4O3S and a molecular weight of 348.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol
PubChem CID52942397
Molecular FormulaC15H12F4O3S
Molecular Weight348.32 g/mol
Exact Mass348.04
IUPAC Name1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C15H12F4O3S/c1-14(20,15(17,18)19)10-2-6-12(7-3-10)23(21,22)13-8-4-11(16)5-9-13/h2-9,20H,1H3
InChIKeyJKJZGYCRJXNWCU-UHFFFAOYSA-N
XLogP3.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
Rac-2-(4-(2-chlorophenylsulfonyl)phenyl)propan-2-ol
CID 11688174
2-[4-(2-Chlorobenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941171
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzonitrile
CID 52941278
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol (CID 52942397) is 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol is CC(O)(c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol?
The InChIKey is JKJZGYCRJXNWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O3S/c1-14(20,15(17,18)19)10-2-6-12(7-3-10)23(21,22)13-8-4-11(16)5-9-13/h2-9,20H,1H3.
What are the key properties of 1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-(4-fluorophenyl)sulfonylphenyl]propan-2-ol has a molecular weight of 348.32 g/mol, XLogP of 3.43, 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-(4-fluorophenyl)sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 52942397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).