2-[bis(4-fluorophenyl)methylsulfanyl]ethanol

C15H14F2OS — CID 19883579

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]ethanol
SMILESOCCSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2OS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChIKeyBBYOLXAJJSQLQO-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.78
Rot. Bonds5

About 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol

2-[bis(4-fluorophenyl)methylsulfanyl]ethanol (PubChem CID 19883579) has the molecular formula C15H14F2OS and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]ethanol
PubChem CID19883579
Molecular FormulaC15H14F2OS
Molecular Weight280.34 g/mol
Exact Mass280.07
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]ethanol
SMILESOCCSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2OS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChIKeyBBYOLXAJJSQLQO-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol (CID 19883579) is 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol is OCCSC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol?
The InChIKey is BBYOLXAJJSQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2.
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol?
2-[bis(4-fluorophenyl)methylsulfanyl]ethanol has a molecular weight of 280.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]ethanol is sourced from PubChem (CID 19883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).