2-(2-fluoroethylsulfanyl)ethanol

C4H9FOS — CID 54141955

IUPAC2-(2-fluoroethylsulfanyl)ethanol
SMILESOCCSCCF
InChIInChI=1S/C4H9FOS/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKeyZTTOCHOBARTUHF-UHFFFAOYSA-N
MW124.18 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-fluoroethylsulfanyl)ethanol

2-(2-fluoroethylsulfanyl)ethanol (PubChem CID 54141955) has the molecular formula C4H9FOS and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)ethanol
PubChem CID54141955
Molecular FormulaC4H9FOS
Molecular Weight124.18 g/mol
Exact Mass124.04
IUPAC Name2-(2-fluoroethylsulfanyl)ethanol
SMILESOCCSCCF
InChIInChI=1S/C4H9FOS/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKeyZTTOCHOBARTUHF-UHFFFAOYSA-N
XLogP0.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 50.68
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-fluoroethylsulfanyl)ethanol?
The IUPAC name of 2-(2-fluoroethylsulfanyl)ethanol (CID 54141955) is 2-(2-fluoroethylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)ethanol?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)ethanol is OCCSCCF.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)ethanol?
The InChIKey is ZTTOCHOBARTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FOS/c5-1-3-7-4-2-6/h6H,1-4H2.
What are the key properties of 2-(2-fluoroethylsulfanyl)ethanol?
2-(2-fluoroethylsulfanyl)ethanol has a molecular weight of 124.18 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfanyl)ethanol is sourced from PubChem (CID 54141955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).