1-bromo-4-(difluoromethylsulfanyl)benzene

C7H5BrF2S — CID 12865382

IUPAC1-bromo-4-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccc(Br)cc1
InChIInChI=1S/C7H5BrF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeyCPHVJEPYGKUFIB-UHFFFAOYSA-N
MW239.08 g/mol
LogP3.76
Rot. Bonds2

About 1-bromo-4-(difluoromethylsulfanyl)benzene

1-bromo-4-(difluoromethylsulfanyl)benzene (PubChem CID 12865382) has the molecular formula C7H5BrF2S and a molecular weight of 239.08 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethylsulfanyl)benzene
PubChem CID12865382
Molecular FormulaC7H5BrF2S
Molecular Weight239.08 g/mol
Exact Mass237.93
IUPAC Name1-bromo-4-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccc(Br)cc1
InChIInChI=1S/C7H5BrF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKeyCPHVJEPYGKUFIB-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethylsulfanyl)benzene?
The IUPAC name of 1-bromo-4-(difluoromethylsulfanyl)benzene (CID 12865382) is 1-bromo-4-(difluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-bromo-4-(difluoromethylsulfanyl)benzene?
The canonical SMILES for 1-bromo-4-(difluoromethylsulfanyl)benzene is FC(F)Sc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(difluoromethylsulfanyl)benzene?
The InChIKey is CPHVJEPYGKUFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H.
What are the key properties of 1-bromo-4-(difluoromethylsulfanyl)benzene?
1-bromo-4-(difluoromethylsulfanyl)benzene has a molecular weight of 239.08 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(difluoromethylsulfanyl)benzene is sourced from PubChem (CID 12865382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).