2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol

C11H13F3O4S — CID 71972663

IUPAC2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O4S/c12-11(13,14)8-18-10-3-1-9(2-4-10)7-19(16,17)6-5-15/h1-4,15H,5-8H2
InChIKeyKJCLYQMAFTVEJA-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.53
Rot. Bonds6

About 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol

2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol (PubChem CID 71972663) has the molecular formula C11H13F3O4S and a molecular weight of 298.28 g/mol. Its IUPAC name is 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol
PubChem CID71972663
Molecular FormulaC11H13F3O4S
Molecular Weight298.28 g/mol
Exact Mass298.05
IUPAC Name2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O4S/c12-11(13,14)8-18-10-3-1-9(2-4-10)7-19(16,17)6-5-15/h1-4,15H,5-8H2
InChIKeyKJCLYQMAFTVEJA-UHFFFAOYSA-N
XLogP1.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol?
The IUPAC name of 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol (CID 71972663) is 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol.
What is the SMILES notation for 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol?
The canonical SMILES for 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol is O=S(=O)(CCO)Cc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol?
The InChIKey is KJCLYQMAFTVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O4S/c12-11(13,14)8-18-10-3-1-9(2-4-10)7-19(16,17)6-5-15/h1-4,15H,5-8H2.
What are the key properties of 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol?
2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol has a molecular weight of 298.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]ethanol is sourced from PubChem (CID 71972663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).