1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

C11H13F3O4S — CID 110906345

IUPAC1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCS(=O)(=O)CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O4S/c1-19(16,17)7-9(15)6-18-10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3
InChIKeyZNGQRHRUNQJSOY-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.49
Rot. Bonds5

About 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 110906345) has the molecular formula C11H13F3O4S and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID110906345
Molecular FormulaC11H13F3O4S
Molecular Weight298.28 g/mol
Exact Mass298.05
IUPAC Name1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCS(=O)(=O)CC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O4S/c1-19(16,17)7-9(15)6-18-10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3
InChIKeyZNGQRHRUNQJSOY-UHFFFAOYSA-N
XLogP1.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
(E,2R)-1-[3-(trifluoromethyl)phenoxy]pent-3-en-2-ol
CID 58289073
1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 110906728
1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 111448372
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
CID 117244595
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (CID 110906345) is 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is CS(=O)(=O)CC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is ZNGQRHRUNQJSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O4S/c1-19(16,17)7-9(15)6-18-10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3.
What are the key properties of 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 298.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 110906345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).