1-(1-bromoethylsulfanyl)-2-fluorobenzene

C8H8BrFS — CID 70101466

IUPAC1-(1-bromoethylsulfanyl)-2-fluorobenzene
SMILESCC(Br)Sc1ccccc1F
InChIInChI=1S/C8H8BrFS/c1-6(9)11-8-5-3-2-4-7(8)10/h2-6H,1H3
InChIKeyJYVYCWJSMNBRFI-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.66
Rot. Bonds2

About 1-(1-bromoethylsulfanyl)-2-fluorobenzene

1-(1-bromoethylsulfanyl)-2-fluorobenzene (PubChem CID 70101466) has the molecular formula C8H8BrFS and a molecular weight of 235.12 g/mol. Its IUPAC name is 1-(1-bromoethylsulfanyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(1-bromoethylsulfanyl)-2-fluorobenzene
PubChem CID70101466
Molecular FormulaC8H8BrFS
Molecular Weight235.12 g/mol
Exact Mass233.95
IUPAC Name1-(1-bromoethylsulfanyl)-2-fluorobenzene
SMILESCC(Br)Sc1ccccc1F
InChIInChI=1S/C8H8BrFS/c1-6(9)11-8-5-3-2-4-7(8)10/h2-6H,1H3
InChIKeyJYVYCWJSMNBRFI-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
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N-tert-butyl-2-(2-fluorophenyl)sulfanyl-3-methylbutan-1-amine
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3,3,3-trifluoro-2-(2-fluorophenyl)sulfanylpropanenitrile
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2-(2-fluorophenyl)sulfanyl-3-methylhexanenitrile
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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethylsulfanyl)-2-fluorobenzene?
The IUPAC name of 1-(1-bromoethylsulfanyl)-2-fluorobenzene (CID 70101466) is 1-(1-bromoethylsulfanyl)-2-fluorobenzene.
What is the SMILES notation for 1-(1-bromoethylsulfanyl)-2-fluorobenzene?
The canonical SMILES for 1-(1-bromoethylsulfanyl)-2-fluorobenzene is CC(Br)Sc1ccccc1F.
What is the InChIKey of 1-(1-bromoethylsulfanyl)-2-fluorobenzene?
The InChIKey is JYVYCWJSMNBRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFS/c1-6(9)11-8-5-3-2-4-7(8)10/h2-6H,1H3.
What are the key properties of 1-(1-bromoethylsulfanyl)-2-fluorobenzene?
1-(1-bromoethylsulfanyl)-2-fluorobenzene has a molecular weight of 235.12 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethylsulfanyl)-2-fluorobenzene is sourced from PubChem (CID 70101466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).