2-(4-fluorophenyl)sulfanylethanol

C8H9FOS — CID 2759148

IUPAC2-(4-fluorophenyl)sulfanylethanol
SMILESOCCSc1ccc(F)cc1
InChIInChI=1S/C8H9FOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyFWKSXVPFRPLQPN-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanylethanol

2-(4-fluorophenyl)sulfanylethanol (PubChem CID 2759148) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylethanol
PubChem CID2759148
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name2-(4-fluorophenyl)sulfanylethanol
SMILESOCCSc1ccc(F)cc1
InChIInChI=1S/C8H9FOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKeyFWKSXVPFRPLQPN-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylethanol?
The IUPAC name of 2-(4-fluorophenyl)sulfanylethanol (CID 2759148) is 2-(4-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylethanol?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylethanol is OCCSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylethanol?
The InChIKey is FWKSXVPFRPLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)sulfanylethanol?
2-(4-fluorophenyl)sulfanylethanol has a molecular weight of 172.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 2759148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).