1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C9H9F3OS — CID 63896063

IUPAC1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H9F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3
InChIKeyHSJRMALTSZKPOV-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.35
Rot. Bonds2

About 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol

1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 63896063) has the molecular formula C9H9F3OS and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID63896063
Molecular FormulaC9H9F3OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H9F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3
InChIKeyHSJRMALTSZKPOV-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 63896063) is 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is CC(O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is HSJRMALTSZKPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3.
What are the key properties of 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
1-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 222.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63896063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).