2-(2,2,2-trifluoroethylsulfanyl)ethanol

C4H7F3OS — CID 19828056

IUPAC2-(2,2,2-trifluoroethylsulfanyl)ethanol
SMILESOCCSCC(F)(F)F
InChIInChI=1S/C4H7F3OS/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
InChIKeyYIUJIEYRSACWDN-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.27
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfanyl)ethanol

2-(2,2,2-trifluoroethylsulfanyl)ethanol (PubChem CID 19828056) has the molecular formula C4H7F3OS and a molecular weight of 160.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfanyl)ethanol
PubChem CID19828056
Molecular FormulaC4H7F3OS
Molecular Weight160.16 g/mol
Exact Mass160.02
IUPAC Name2-(2,2,2-trifluoroethylsulfanyl)ethanol
SMILESOCCSCC(F)(F)F
InChIInChI=1S/C4H7F3OS/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
InChIKeyYIUJIEYRSACWDN-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)ethanol?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)ethanol (CID 19828056) is 2-(2,2,2-trifluoroethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfanyl)ethanol?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfanyl)ethanol is OCCSCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfanyl)ethanol?
The InChIKey is YIUJIEYRSACWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS/c5-4(6,7)3-9-2-1-8/h8H,1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfanyl)ethanol?
2-(2,2,2-trifluoroethylsulfanyl)ethanol has a molecular weight of 160.16 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfanyl)ethanol is sourced from PubChem (CID 19828056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).