1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene

C16H16F2S — CID 67503932

IUPAC1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
SMILESFc1ccccc1CCSCCc1ccccc1F
InChIInChI=1S/C16H16F2S/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2
InChIKeyZDHACYGABWWHLF-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.48
Rot. Bonds6

About 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene

1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene (PubChem CID 67503932) has the molecular formula C16H16F2S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
PubChem CID67503932
Molecular FormulaC16H16F2S
Molecular Weight278.37 g/mol
Exact Mass278.09
IUPAC Name1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
SMILESFc1ccccc1CCSCCc1ccccc1F
InChIInChI=1S/C16H16F2S/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2
InChIKeyZDHACYGABWWHLF-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene?
The IUPAC name of 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene (CID 67503932) is 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene.
What is the SMILES notation for 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene?
The canonical SMILES for 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene is Fc1ccccc1CCSCCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene?
The InChIKey is ZDHACYGABWWHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2S/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2.
What are the key properties of 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene?
1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene has a molecular weight of 278.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene is sourced from PubChem (CID 67503932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).