2-(4-fluorobutylsulfanyl)ethenol

C6H11FOS — CID 175588429

IUPAC2-(4-fluorobutylsulfanyl)ethenol
SMILESOC=CSCCCCF
InChIInChI=1S/C6H11FOS/c7-3-1-2-5-9-6-4-8/h4,6,8H,1-3,5H2
InChIKeyAQLBBFCOGPWOFR-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-fluorobutylsulfanyl)ethenol

2-(4-fluorobutylsulfanyl)ethenol (PubChem CID 175588429) has the molecular formula C6H11FOS and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(4-fluorobutylsulfanyl)ethenol.

Molecular Properties

Compound Name2-(4-fluorobutylsulfanyl)ethenol
PubChem CID175588429
Molecular FormulaC6H11FOS
Molecular Weight150.22 g/mol
Exact Mass150.05
IUPAC Name2-(4-fluorobutylsulfanyl)ethenol
SMILESOC=CSCCCCF
InChIInChI=1S/C6H11FOS/c7-3-1-2-5-9-6-4-8/h4,6,8H,1-3,5H2
InChIKeyAQLBBFCOGPWOFR-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobutylsulfanyl)ethenol?
The IUPAC name of 2-(4-fluorobutylsulfanyl)ethenol (CID 175588429) is 2-(4-fluorobutylsulfanyl)ethenol.
What is the SMILES notation for 2-(4-fluorobutylsulfanyl)ethenol?
The canonical SMILES for 2-(4-fluorobutylsulfanyl)ethenol is OC=CSCCCCF.
What is the InChIKey of 2-(4-fluorobutylsulfanyl)ethenol?
The InChIKey is AQLBBFCOGPWOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FOS/c7-3-1-2-5-9-6-4-8/h4,6,8H,1-3,5H2.
What are the key properties of 2-(4-fluorobutylsulfanyl)ethenol?
2-(4-fluorobutylsulfanyl)ethenol has a molecular weight of 150.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutylsulfanyl)ethenol is sourced from PubChem (CID 175588429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).