1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol

C16H15F3O2S — CID 14711961

IUPAC1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol
SMILESCc1ccc(S(=O)CC(O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O2S/c1-12-7-9-14(10-8-12)22(21)11-15(20,16(17,18)19)13-5-3-2-4-6-13/h2-10,20H,11H2,1H3
InChIKeyRFFRLYAXQHUESX-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.55
Rot. Bonds4

About 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol

1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol (PubChem CID 14711961) has the molecular formula C16H15F3O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol
PubChem CID14711961
Molecular FormulaC16H15F3O2S
Molecular Weight328.36 g/mol
Exact Mass328.07
IUPAC Name1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol
SMILESCc1ccc(S(=O)CC(O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O2S/c1-12-7-9-14(10-8-12)22(21)11-15(20,16(17,18)19)13-5-3-2-4-6-13/h2-10,20H,11H2,1H3
InChIKeyRFFRLYAXQHUESX-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-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
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
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
US9771320, Example 10
CID 118212056
US9771320, Example 125
CID 118220706
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol (CID 14711961) is 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol is Cc1ccc(S(=O)CC(O)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol?
The InChIKey is RFFRLYAXQHUESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2S/c1-12-7-9-14(10-8-12)22(21)11-15(20,16(17,18)19)13-5-3-2-4-6-13/h2-10,20H,11H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol?
1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol has a molecular weight of 328.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-2-phenylpropan-2-ol is sourced from PubChem (CID 14711961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).