2-[2-(trifluoromethyl)phenyl]sulfanylethanol

C9H9F3OS — CID 2760767

IUPAC2-[2-(trifluoromethyl)phenyl]sulfanylethanol
SMILESOCCSc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3OS/c10-9(11,12)7-3-1-2-4-8(7)14-6-5-13/h1-4,13H,5-6H2
InChIKeyJFDKRAPDICTSIR-UHFFFAOYSA-N
MW222.23 g/mol
LogP2.79
Rot. Bonds3

About 2-[2-(trifluoromethyl)phenyl]sulfanylethanol

2-[2-(trifluoromethyl)phenyl]sulfanylethanol (PubChem CID 2760767) has the molecular formula C9H9F3OS and a molecular weight of 222.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]sulfanylethanol
PubChem CID2760767
Molecular FormulaC9H9F3OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name2-[2-(trifluoromethyl)phenyl]sulfanylethanol
SMILESOCCSc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3OS/c10-9(11,12)7-3-1-2-4-8(7)14-6-5-13/h1-4,13H,5-6H2
InChIKeyJFDKRAPDICTSIR-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfanylethanol?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]sulfanylethanol (CID 2760767) is 2-[2-(trifluoromethyl)phenyl]sulfanylethanol.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]sulfanylethanol?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]sulfanylethanol is OCCSc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]sulfanylethanol?
The InChIKey is JFDKRAPDICTSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3OS/c10-9(11,12)7-3-1-2-4-8(7)14-6-5-13/h1-4,13H,5-6H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]sulfanylethanol?
2-[2-(trifluoromethyl)phenyl]sulfanylethanol has a molecular weight of 222.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]sulfanylethanol is sourced from PubChem (CID 2760767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).