3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol

C10H11F3O3S — CID 90747725

IUPAC3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol
SMILESO=S(=O)(c1ccc(CCCO)cc1)C(F)(F)F
InChIInChI=1S/C10H11F3O3S/c11-10(12,13)17(15,16)9-5-3-8(4-6-9)2-1-7-14/h3-6,14H,1-2,7H2
InChIKeyGDYLKAUDOFNFLN-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.90
Rot. Bonds4

About 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol

3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol (PubChem CID 90747725) has the molecular formula C10H11F3O3S and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol
PubChem CID90747725
Molecular FormulaC10H11F3O3S
Molecular Weight268.26 g/mol
Exact Mass268.04
IUPAC Name3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol
SMILESO=S(=O)(c1ccc(CCCO)cc1)C(F)(F)F
InChIInChI=1S/C10H11F3O3S/c11-10(12,13)17(15,16)9-5-3-8(4-6-9)2-1-7-14/h3-6,14H,1-2,7H2
InChIKeyGDYLKAUDOFNFLN-UHFFFAOYSA-N
XLogP1.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-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

1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate
CID 562853
4-(2-Hydroxyethyl)benzenesulfonamide
CID 10375558
4-(4-Oxidanylbutyl)benzenesulfonamide
CID 15707361
4-(3-Hydroxypropyl)benzene-1-sulfonamide
CID 15707360
4-(5-Hydroxypentyl)benzene-1-sulfonamide
CID 15707362
3-Fluoro-4-(3-hydroxypropyl)benzenesulfonamide
CID 15707369
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate
CID 299932
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl 4-methylbenzene-1-sulfonate
CID 12033153
3,3,4,4,5,5,6,6,6-Nonafluorohexyl 4-methylbenzene-1-sulfonate
CID 86642966
(4-Methanesulfonylphenyl)methanol
CID 3801026
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol (CID 90747725) is 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol is O=S(=O)(c1ccc(CCCO)cc1)C(F)(F)F.
What is the InChIKey of 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol?
The InChIKey is GDYLKAUDOFNFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3S/c11-10(12,13)17(15,16)9-5-3-8(4-6-9)2-1-7-14/h3-6,14H,1-2,7H2.
What are the key properties of 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol?
3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol has a molecular weight of 268.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-ol is sourced from PubChem (CID 90747725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).