[bromo(difluoro)methyl]sulfanylbenzene

C7H5BrF2S — CID 11322389

IUPAC[bromo(difluoro)methyl]sulfanylbenzene
SMILESFC(F)(Br)Sc1ccccc1
InChIInChI=1S/C7H5BrF2S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKeyHXZWRRXLBDCJMB-UHFFFAOYSA-N
MW239.08 g/mol
LogP3.72
Rot. Bonds2

About [bromo(difluoro)methyl]sulfanylbenzene

[bromo(difluoro)methyl]sulfanylbenzene (PubChem CID 11322389) has the molecular formula C7H5BrF2S and a molecular weight of 239.08 g/mol. Its IUPAC name is [bromo(difluoro)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[bromo(difluoro)methyl]sulfanylbenzene
PubChem CID11322389
Molecular FormulaC7H5BrF2S
Molecular Weight239.08 g/mol
Exact Mass237.93
IUPAC Name[bromo(difluoro)methyl]sulfanylbenzene
SMILESFC(F)(Br)Sc1ccccc1
InChIInChI=1S/C7H5BrF2S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKeyHXZWRRXLBDCJMB-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bromo(difluoro)methyl]sulfanylbenzene?
The IUPAC name of [bromo(difluoro)methyl]sulfanylbenzene (CID 11322389) is [bromo(difluoro)methyl]sulfanylbenzene.
What is the SMILES notation for [bromo(difluoro)methyl]sulfanylbenzene?
The canonical SMILES for [bromo(difluoro)methyl]sulfanylbenzene is FC(F)(Br)Sc1ccccc1.
What is the InChIKey of [bromo(difluoro)methyl]sulfanylbenzene?
The InChIKey is HXZWRRXLBDCJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H.
What are the key properties of [bromo(difluoro)methyl]sulfanylbenzene?
[bromo(difluoro)methyl]sulfanylbenzene has a molecular weight of 239.08 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(difluoro)methyl]sulfanylbenzene is sourced from PubChem (CID 11322389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).