2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol

C13H11F3OS — CID 66743518

IUPAC2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol
SMILESCc1cc(-c2ccccc2C(O)C(F)(F)F)cs1
InChIInChI=1S/C13H11F3OS/c1-8-6-9(7-18-8)10-4-2-3-5-11(10)12(17)13(14,15)16/h2-7,12,17H,1H3
InChIKeySJHIBZJCVODDEF-UHFFFAOYSA-N
MW272.29 g/mol
LogP4.32
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol

2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol (PubChem CID 66743518) has the molecular formula C13H11F3OS and a molecular weight of 272.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol
PubChem CID66743518
Molecular FormulaC13H11F3OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol
SMILESCc1cc(-c2ccccc2C(O)C(F)(F)F)cs1
InChIInChI=1S/C13H11F3OS/c1-8-6-9(7-18-8)10-4-2-3-5-11(10)12(17)13(14,15)16/h2-7,12,17H,1H3
InChIKeySJHIBZJCVODDEF-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol (CID 66743518) is 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol is Cc1cc(-c2ccccc2C(O)C(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol?
The InChIKey is SJHIBZJCVODDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OS/c1-8-6-9(7-18-8)10-4-2-3-5-11(10)12(17)13(14,15)16/h2-7,12,17H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol?
2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol has a molecular weight of 272.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(5-methylthiophen-3-yl)phenyl]ethanol is sourced from PubChem (CID 66743518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).