1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene

C12H7BrF2S — CID 86694942

IUPAC1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene
SMILESFc1cc(F)cc(Sc2ccc(Br)cc2)c1
InChIInChI=1S/C12H7BrF2S/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7H
InChIKeyFOOCQTNNOWDFNN-UHFFFAOYSA-N
MW301.16 g/mol
LogP4.88
Rot. Bonds2

About 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene

1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene (PubChem CID 86694942) has the molecular formula C12H7BrF2S and a molecular weight of 301.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene
PubChem CID86694942
Molecular FormulaC12H7BrF2S
Molecular Weight301.16 g/mol
Exact Mass299.94
IUPAC Name1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene
SMILESFc1cc(F)cc(Sc2ccc(Br)cc2)c1
InChIInChI=1S/C12H7BrF2S/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7H
InChIKeyFOOCQTNNOWDFNN-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene (CID 86694942) is 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene is Fc1cc(F)cc(Sc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene?
The InChIKey is FOOCQTNNOWDFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2S/c13-8-1-3-11(4-2-8)16-12-6-9(14)5-10(15)7-12/h1-7H.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene?
1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene has a molecular weight of 301.16 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3,5-difluorobenzene is sourced from PubChem (CID 86694942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).