2-(3-fluorobutylsulfanyl)ethanol

C6H13FOS — CID 130735395

IUPAC2-(3-fluorobutylsulfanyl)ethanol
SMILESCC(F)CCSCCO
InChIInChI=1S/C6H13FOS/c1-6(7)2-4-9-5-3-8/h6,8H,2-5H2,1H3
InChIKeyLXBUHGATSQNPEY-UHFFFAOYSA-N
MW152.23 g/mol
LogP1.46
Rot. Bonds5

About 2-(3-fluorobutylsulfanyl)ethanol

2-(3-fluorobutylsulfanyl)ethanol (PubChem CID 130735395) has the molecular formula C6H13FOS and a molecular weight of 152.23 g/mol. Its IUPAC name is 2-(3-fluorobutylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(3-fluorobutylsulfanyl)ethanol
PubChem CID130735395
Molecular FormulaC6H13FOS
Molecular Weight152.23 g/mol
Exact Mass152.07
IUPAC Name2-(3-fluorobutylsulfanyl)ethanol
SMILESCC(F)CCSCCO
InChIInChI=1S/C6H13FOS/c1-6(7)2-4-9-5-3-8/h6,8H,2-5H2,1H3
InChIKeyLXBUHGATSQNPEY-UHFFFAOYSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 51.46
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-(3-fluorobutylsulfanyl)ethanol?
The IUPAC name of 2-(3-fluorobutylsulfanyl)ethanol (CID 130735395) is 2-(3-fluorobutylsulfanyl)ethanol.
What is the SMILES notation for 2-(3-fluorobutylsulfanyl)ethanol?
The canonical SMILES for 2-(3-fluorobutylsulfanyl)ethanol is CC(F)CCSCCO.
What is the InChIKey of 2-(3-fluorobutylsulfanyl)ethanol?
The InChIKey is LXBUHGATSQNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FOS/c1-6(7)2-4-9-5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-(3-fluorobutylsulfanyl)ethanol?
2-(3-fluorobutylsulfanyl)ethanol has a molecular weight of 152.23 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobutylsulfanyl)ethanol is sourced from PubChem (CID 130735395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).